99-55-8 structure, C7H8N2O2
5-nitro-o-toluidine
CAS No.: 99-55-8 Formula: C7H8N2O2 Molecular Weight: 152.15100
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5-nitro-o-toluidine

CAS No.:

99-55-8

Formula:

C7H8N2O2

Molecular Weight: 152.15100
Suppliers: All (166) China Suppliers (105) Price Available (23) Contractor (15)

Description

2-Methyl-5-nitroaniline is used as a reagent in the synthesis of imatinib base derivatives which show antibacterial and antifungal activity. Also used as a reagent in the synthesis of pyrimidinylaminobenzene derivatives which exhibit antiproliferative activity against melanoma.

Basic Info

Numbering system

MDL number MFCD00007741

Properties

Appearance & Physical State

Bright yellow powder

Density

1.269g/cm3

Boiling Point

329.4ºC at 760 mmHg

Melting Point

104-107ºC

Flash Point

153ºC

Stability

Stable. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, acids, chloroformates.

Storage Condition

2-8ºC

Safety Info

RTECS

XU8225000

Hazard Class

6.1

Safety Statements

S36/37-S45-S61

HS Code

2921430090

WGK Germany

3

Packing Group

III

RIDADR

UN 2660

Risk Statements

R23/24/25; R40; R52/53

Hazard Codes

T

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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-nitro-o-toluidine

1.2 Other means of identification

Product number -
Other names Benzenamine, 2-methyl-5-nitro-

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

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Carcinogenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

H351 Suspected of causing cancer

H412 Harmful to aquatic life with long lasting effects

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.

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

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

P201 Obtain special instructions before use.

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

P273 Avoid release to the environment.

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/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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

P311 Call a POISON CENTER/doctor/…

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
5-nitro-o-toluidine 5-nitro-o-toluidine 99-55-8 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 chemical include methemoglobinemia and respiratory distress. ACUTE/CHRONIC HAZARDS: This compound is an irritant and an experimental carcinogen. It may be absorbed through the skin. When heated to decomposition this compound emits toxic fumes of carbon monoxide, carbon dioxide and nitrogen oxides.

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

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 as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on 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. /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

This chemical may burn but does not easily ignite. Use dry chemical, carbon dioxide, water spray, or alcohol or polymer foam extinguishers. Poisonous gases including nitrogen oxides are produced in fire. If materials or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however, it is probably combustible.

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

Evacuate persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Use HEPA vacuum or wet method to reduce dust during clean-up. Do not dry sweep. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area of spill or leak after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean-up spills, they must be properly trained and equipped.

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

Prior to working with this chemical you should be trained on its proper handling and storage. Store in tightly closed containers in a cool, well ventilated area away from oxidizers, strong acids, acid cholrides, acid anhydrides, chloroformates. Where possible, automatically pump liquid from drums or other storage containers to process containers. Sources of ignition such as smoking and open flames are prohibited where this chemical is handled, used, or stored. Metal containers involving the transfer of 5 gallons or more of this chemical should be grounded and bonded. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment, especially when opening and closing containers of this chemical. Wherever this chemical is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings.

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 Bright yellow powder
Colour Yellow monoclinic prisms
Odour no data available
Melting point/ freezing point 242°C(lit.)
Boiling point or initial boiling point and boiling range 120°C/11mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 150°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility 13.5 [ug/mL]
Partition coefficient n-octanol/water (log value) log Kow = 1.87
Vapour pressure 9.8X10-4 mm Hg at 25°C (est)
Density and/or relative density 1.269g/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

5-NITRO-O-TOLUIDINE is incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides and chloroformates.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Oxidizers, strong acids, acid chlorides, acid anhydrides, chloroformates.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 574 mg/kg
  • 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

Evaluation: There is limited evidence for the carcinogenicity of 5-nitro-ortho-toluidine in experimental animals. No data were available from studies in humans on the carcinogenicity of 5-nitro-ortho-toluidine. Overall evaluation: 5-Nitro-ortho-toluidine is not classifiable as to its carcinogenicity to humans (Group 3).

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: Pimephales promelas (Fathead minnow, juvenile, length 2.4 cm, weight 0.28 g); Conditions: freshwater, static, 20.3°C (19.5-22.0°C), pH 7.6 (6.0-9.2), hardness 29.6 mg/L CaCO3 (12.0-43.0 mg/L), alkalinity 31.0 mg/L CaCO3 (15.0-60.0 mg/L), dissolved oxygen 7.2 mg/L (2.8-9.4 mg/L); Concentration: 68800 ug/L for 96 hr (95% confidence interval: 64200-74200 ug/L) /95-99% purity
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea, first instar larvae); Conditions: freshwater, static, 20°C, pH 7.2-8.6, hardness 26 mg/L CaCO3, alkalinity 45 mg/L CaCO3, dissolved oxygen 8.7 mg/L (8.6-8.8 mg/L); Concentration: 22500 ug/L for 48 hr; Effect: intoxication, immobilization /formulated product
  • Toxicity to algae: EC50; Species: Pseudokirchneriella subcapitata (Green algae, log growth phase); Conditions: freshwater, static, 25°C, pH 6.0-7.5; Concentration: 101.5 uM for 96 hr (95% confidence interval: 59.4-175.5 uM); Effect: decreased population abundance /formulated product
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 5-Nitro-o-toluidine was readily consumed in enrichment cultures using an inoculum from a munitions wastewater treatment plant(1). 5-Nitro-o-toluidine was reported to degrade 100% after 104 days in studies using activated sludge from a wastewater treatment plant with no previous exposure to nitroaromatic compounds, as well as in studies using inoculum from a plant that routinely treats dinitrotoluene-contaminated wastewater(2). Degradation products identified were 2,4-diaminotoluene, 4-nitrotoluene, and 6-nitroindazole(2).

12.3 Bioaccumulative potential

An estimated BCF of 5.5 was calculated in fish for 5-nitro-o-toluidine(SRC), using a log Kow of 1.87(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

Koc values of 690 and 810 were reported for 5-nitro-o-toluidine in sewage sludge(1). According to a classification scheme(2), these Koc values suggest that 5-nitro-o-toluidine is expected to have low 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: UN2660 IMDG: UN2660 IATA: UN2660

14.2 UN Proper Shipping Name

ADR/RID: NITROTOLUIDINES (MONO)
IMDG: NITROTOLUIDINES (MONO)
IATA: NITROTOLUIDINES (MONO)

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: 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
5-nitro-o-toluidine 5-nitro-o-toluidine 99-55-8 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) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 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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