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3296-90-0 structure, C5H10Br2O2
2,2-Bis(bromomethyl)propane-1,3-diol
CAS No.: 3296-90-0 Formula: C5H10Br2O2 Molecular Weight: 261.94000
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2,2-Bis(bromomethyl)propane-1,3-diol

CAS No.:

3296-90-0

Formula:

C5H10Br2O2

Molecular Weight: 261.94000
Suppliers: All (103) China Suppliers (64) Price Available (18) Contractor (6)

Description

It is a brominated flame retardant, previously shown to be a multisite carcinogen in experimental animals. The compound is used as a fire retardant in unsaturated polyester resins, in molded products, and in rigid polyurethane foam. It shows clear evidence of carcinogenicity and genotoxicity activity.

Basic Info

Chemical Name

2,2-Bis(bromomethyl)propane-1,3-diol

Synonyms

FR 1138; Dibromoneopentyl glycol; Pentaerythritol dibromide; Dibromopentaerythritol; 2,2-Bis(broMoMethyl)-1,3-propanediol; Pentaerythritol dibromohydrin; Expand

CAS No.

3296-90-0

Molecular Formula

C5H10Br2O2

Molecular Weight

261.94000

PSA

40.46000

LogP

0.74720

Numbering system

MDL number MFCD00004688

Properties

Appearance & Physical State

white crystal

Density

1.977 g/cm3

Boiling Point

370.9ºC at 760 mmHg

Melting Point

112-114ºC

Flash Point

178.1ºC

Refractive Index

1.573

Storage Condition

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Vapor Pressure

10 mm Hg ( 178 °C)

Safety Info

RTECS

TY3195500

Safety Statements

S23-S26-S36/37/39-S45-S53

HS Code

2905590090

WGK Germany

3

RIDADR

UN 2811

Risk Statements

R45; R36/37/38

Hazard Codes

T

Hazard Declaration

H302; H315; H319; H335; H351

Symbol

GHS07, GHS08

Signal Word

Warning

Caution Statement

P280; P301 + P312 + P330; P305 + P351 + P338

SDS 1.0

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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 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-Bis(bromomethyl)propane-1,3-diol

1.2 Other means of identification

Product number -
Other names FR 1138

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Flame retardants
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 4

Eye irritation, Category 2

Germ cell mutagenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H341 Suspected of causing genetic defects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P201 Obtain special instructions before use.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

Storage

P405 Store locked up.

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
2,2-Bis(bromomethyl)propane-1,3-diol 2,2-Bis(bromomethyl)propane-1,3-diol 3296-90-0 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

SYMPTOMS: Symptoms of exposure to this compound include eye and skin irritation and possible liver damage. It may also cause corneal injury which may be sufficient to cause possible impairment of vision. Consumption of alcohol before or after handling this chemical may enhance the toxic effects. ACUTE/CHRONIC HAZARDS: This compound is irritating to the eyes, skin and mucous membranes upon prolonged exposure. When heated to decomposition it emits toxic fumes of bromide ion.

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

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary.

5.2 Specific hazards arising from the chemical

Literature sources indicate that this compound is nonflammable.

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

ACCIDENTAL RELEASE MEASURES. Personal precautions: Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.

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

Keep container tightly closed in a dry and well-ventilated place.

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 white crystal
Colour Needles from benzene
Odour no data available
Melting point/ freezing point 142°C(lit.)
Boiling point or initial boiling point and boiling range 215°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 86°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 18.89°C
Partition coefficient n-octanol/water (log value) log Kow = 0.85 (est)
Vapour pressure 10 mm Hg ( 178 °C)
Density and/or relative density 1.977 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

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

A brominated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

REACTIVITY: Not available STABILITY: This chemical is hygroscopic. Proton NMR stability screenings indicate that solutions of this compound in DMSO are stable for at least 24 hours. (NTP)

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /Bromine/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat (Sprague-Dawley) oral (gavage) > 2000 mg/kg bw
  • Inhalation: no data available
  • Dermal: no data available

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

No epidemiological data relevant to the carcinogenicity of 2,2-bis(bromomethyl)propane-1,3-diol were available. There is sufficient evidence in experimental animals for the carcinogenicity of 2,2-bis(bromomethyl)propane-1,3-diol. Overall evaluation 2,2-Bis(bromomethyl)propane-1,3-diol is possibly carcinogenic to humans (Group 2B).

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: Oncorhynchus mykiss (Rainbow trout); Conditions: semi-static bioassay; Concentration: 100 mg/L for 96 hr
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (water flea); Conditions: static bioassay; Concentration: >100 mg/L for 48 hr; Immobilization.
  • Toxicity to algae: EC50; Species: Scenedesmus subspicatus (freshwater green algae); Conditions: static bioassay; Concentration: 37 mg/L for 72 hr (biomass); 150 mg/L for 72 hr (growth rate)
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 2,2-Bis(bromomethyl)-1,3-propanediol, present at 100 mg/L, reached 11, 3, and 33% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test; direct analysis using Total Organic Carbon resulted in 6, 8, and 8% loss. It is considered non-biodegradable(1). However, using an enrichment culture developed using contaminated soils from the Ramat Hovav industrial park in Negev, Israel, and enhanced with a mineral salt medium, the compound at an initial concentration of 0.5 g/L biodegraded following a 12-day acclimation period, with 100% biodegradation noted by day-35(2).

12.3 Bioaccumulative potential

A BCF of 0.8-1.1 was measured in fish for 2,2-bis(bromomethyl)-1,3-propanediol(SRC), using carp (Cyprinus carpio) which were exposed over an 6-week period(1). According to a classification scheme(2), this BCF suggests bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,2-bis(bromomethyl)-1,3-propanediol can be estimated to be 1.5(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,2-bis(bromomethyl)-1,3-propanediol is expected to have very high mobility in soil.

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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

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
2,2-Bis(bromomethyl)propane-1,3-diol 2,2-Bis(bromomethyl)propane-1,3-diol 3296-90-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not 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 11, 2017
Revision Date Aug 11, 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.

MSDS

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NMR Spectrum 1H NMR : Predict

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3296-90-0 NMR spectrum
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