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1689-84-5 structure, C7H3Br2NO
3,5-dibromo-4-hydroxybenzonitrile
CAS No.: 1689-84-5 Formula: C7H3Br2NO Molecular Weight: 276.91300
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3,5-dibromo-4-hydroxybenzonitrile

CAS No.:

1689-84-5

Formula:

C7H3Br2NO

Molecular Weight: 276.91300
Suppliers: All (29) China Suppliers (29) Price Available (3) Contractor(0)

Description

Bromoxynil is a nitrile herbicide, trade names include Brominal, Bromotril, Bronate, Buctril, Certrol B, Litarol, M&B 10064, Merit, Pardner, Sabre, and Torch. It is used for post-emergent control of annual broadleaf weeds. It is especially effective in the control of weeds in cereal, corn, sorghum, onions, flax, mint, turf, and on non-cropland. It works by inhibiting photosynthesis. Lethal doses in mammals range between 60 and 600 milligrams ingested per kilogram of body weight, and teratogenic effects have been observed in rats and rabbits above 30 milligrams per kilogram. Chronic exposure for more than one year in humans caused symptoms of weight loss, fever, vomiting, headache, and urinary problems in one documented case. In the United States it is distributed as a restricted use pesticide in toxicity class II (moderately toxic) and not available for homeowner use.
In the Great Plains region of Canada it is widely used on cereal grains. Average levels detected in drinking water were 1 nanogram per liter, but in one case as high as 384 nanograms per liter were detected. Levels of bromoxynil were consistently lower than of several other pesticides tested, and it was observed to undergo greater reduction in water treatment than the others.
Bromoxynil decomposes readily in soil, with a half life of approximately two weeks. Persistence increases in soils with elevated clay or organic matter content, suggesting the compound has somewhat limited bioavailability to microorganisms in these environments. Under aerobic conditions in soils or pure cultures, products of bromoxynil degradation often retain the original bromine groups. The herbicide, and one of its common degradation products (3,5-dibromo-4-hydroxybenzoic acid) have been shown to undergo metabolic reductive dehalogenation by the microorganism, Desulfitobacterium chlororespirans.

Basic Info

Chemical Name

3,5-dibromo-4-hydroxybenzonitrile

Synonyms

Bromoxynil; 3,5-Dibromo-4-hydroxybenzonitrile; Benzonitrile, 3,5-dibromo-4-hydroxy-;

CAS No.

1689-84-5

Molecular Formula

C7H3Br2NO

Molecular Weight

276.91300

PSA

44.02000

LogP

2.78888

Numbering system

BRN number 2364039
MDL number MFCD00002153
EINECS number 216-882-7
RTECS number DI3150000
PubChem number 24853945

Properties

Appearance & Physical State

Off-white to salmon crystalline powder

Density

2.24 g/cm3

Boiling Point

265.6ºC at 760 mmHg

Melting Point

188-192ºC

Flash Point

114.4ºC

Refractive Index

1.71

Storage Condition

0-6ºC

Vapor Pressure

0.00552mmHg at 25°C

Safety Info

RTECS

DI3150000

Hazard Class

6.1(b)

Safety Statements

S28-S36/37-S45-S60-S61

HS Code

2926909032

Packing Group

III

WGK Germany

3

RIDADR

UN 2811

Risk Statements

R25; R26; R43; R50/53; R63

Hazard Codes

T+; N

SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,5-dibromo-4-hydroxybenzonitrile

1.2 Other means of identification

Product number -
Other names Bromoxynil

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H317 May cause an allergic skin reaction

H330 Fatal if inhaled

H410 Very toxic to aquatic life with long lasting effects

H361d

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

P273 Avoid release to the environment.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

P320 Specific treatment is urgent (see ... on this label).

P391 Collect spillage.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
3,5-dibromo-4-hydroxybenzonitrile 3,5-dibromo-4-hydroxybenzonitrile 1689-84-5 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Extinguishing Media: Carbon dioxide or dry chemical for small fires. Water spray or alcohol-type foam for large fires.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2016)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Do not contaminate /receiving/ water when disposing of equipment washwaters. /Moxy 2E/

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store at temperatures above 3 deg F. If allowed to freeze, remix before using. Do not contaminate water, food, or feed by storage ... of this chemical.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Off-white to salmon crystalline powder
Colour WHITE CRYSTALLINE SOLID
Odour ODORLESS WHEN PURE
Melting point/ freezing point 188-192ºC
Boiling point or initial boiling point and boiling range 265.6ºC at 760 mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 114.4ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility IN WATER 130 PPM (0.013%) WT/VOL @ 20-25 DEG C; IN ETHANOL 7% WT/VOL @ 20-25 DEG C; IN LIGHT PETROLEUM & XYLENE 1-2% WT/VOL @ 20-25 DEG C
Partition coefficient n-octanol/water (log value) log Kow = 2.70
Vapour pressure 0.00552mmHg at 25°C
Density and/or relative density 2.24 g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

NO DETERIORATION IN OVER 2 YEARS STORAGE TIME

10.3 Possibility of hazardous reactions

BROMOXYNIL is a weak acid.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomp it emits highly toxic fumes of /nitrogen oxides, hydrogen cyanide and hydrogen bromide/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 110 mg/kg
  • Inhalation: no data available
  • Dermal: LD50 Rat percutaneous >2000 mg/kg

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

Cancer Classification: Group C Possible Human Carcinogen

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Lepomis macrochirus (Bluegill); Conditions: freshwater, static; Concentration: 23000 ug/L for 96 hr (95% confidence interval: 18000-30000 ug/L) /21.5% purity formulation
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water Flea) age <24 hr; Conditions: freshwater, static; Concentration: 19220 ug/L for 48 hr (95% confidence interval: 13000-36000 ug/L); Effect: intoxication, immobilization /95% purity formulation
  • Toxicity to algae: EC50; Species: Chlorella pyrenoidosa (Green Algae) 2 X 10+5 cells/L; Conditions: freshwater, static, 25°C; Concentration: 4406.4 ug/L for 96 hr; Effect: decreased population growth rate, growth inhibition /95% purity technical product
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Using a clay loam soil, (14)C bromoxynil and ioxynil degradation was studied. The half-life was estimated to be 7 days for bromoxynil and 9-10 days for ioxynil. Soil microorganisms used in this study that degraded ioxynil completely to carbon dioxide or in part did not seem to degrade bromoxynil completely. No metabolites except carbon dioxide were identified.

12.3 Bioaccumulative potential

An estimated BCF of 28 was calculated in fish for bromoxynil(SRC), using a log Kow of 2.70(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of bromoxynil has been reported as 302(1). According to a classification scheme(2), this Koc value suggests that bromoxynil is expected to have moderate mobility in soil. The pKa of bromoxynil is 3.86(3), indicating that this compound will almost entirely exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Using soil column studies employing soils from Alberta, Canada, bromoxynil was shown to leach 69 to 77% by 0.67 rain-year in Brown (Skiff, loam; pH 6.0, 2.1% organic matter) and Dark Brown (Lethbridge, loam; pH 7.6, 2.7% organic matter) soils and at an intermediate rate of 64% by 3.0 rain-year in Dark Grey soil (Beaverlodge #1, silty loam; pH 6.3, 5.4% organic matter) and 5% in 3.0 rain-year in Black soil (Lacombe, sandy loam; pH 5.6, 5.9% organic matter)(1).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
3,5-dibromo-4-hydroxybenzonitrile 3,5-dibromo-4-hydroxybenzonitrile 1689-84-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 18, 2017
Revision Date Aug 18, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

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