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Substance Name: 3-Nitrotoluene
RN: 99-08-1
UNII: 29A9W826KQ
InChIKey: QZYHIOPPLUPUJF-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O2

Molecular Weight

  • 137.137
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 1000 lb
  • TWA (2 ppm); skin; BEI
  • TWA 5 ppm (30 mg/m3); skin
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Names and Synonyms

Name of Substance

  • 3-Nitrotoluene

Synonyms

  • 1-Methyl-3-nitrobenzene
  • 3-Methylnitrobenzene
  • 3-Nitrotoluene
  • 3-Nitrotoluol
  • CCRIS 2312
  • EC 202-728-6
  • EINECS 202-728-6
  • HSDB 2937
  • m-Methylnitrobenzene
  • m-Nitrotoluene
  • m-Nitrotoluol
  • meta-Nitrotoluol
  • Nitrotoluene, all isomers
  • NSC 9578
  • Toluene, m-nitro-
  • UNII-29A9W826KQ

Systematic Names

  • 3-Nitrotoluene
  • Benzene, 1-methyl-3-nitro-
  • m-Nitrotoluene
  • Toluene, m-nitro-

Superlist Names

  • 3-Nitrotoluene
  • Benzene, 1-methyl-3-nitro-
  • m-Nitrotoluene
  • m-Nitrotoluene, liquid or solid
  • m-Nitrotoluene, liquid or solid [UN1664] [Poison]
  • Nitrotoluene, m-
  • Nitrotoluene, m-isomer
  • Toluene, m-nitro-
  • UN1664

Registry Numbers

CAS Registry Number

  • 99-08-1

FDA UNII

  • 29A9W826KQ

System Generated Number

  • 0000099081

Structure Descriptors

InChI

1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3

InChIKey

QZYHIOPPLUPUJF-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3600mg/kg (3600mg/kg)   Chemical Abstracts. Vol. 73, Pg. 91015e, 1970.
mouse LC50 inhalation 425mg/m3 (425mg/m3) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LIVER: FATTY LIVER DEGERATION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
mouse LD50 oral 330mg/kg (330mg/kg)   Chemical Abstracts. Vol. 73, Pg. 91015e, 1970.
rabbit LD50 oral 1750mg/kg (1750mg/kg) LIVER: FATTY LIVER DEGERATION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat LC50 inhalation 693mg/m3 (693mg/m3) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LIVER: FATTY LIVER DEGERATION

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat LD50 oral 1072mg/kg (1072mg/kg)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15.5 deg C   EXP
Boiling Point 232 deg C   EXP
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 500 mg/L 30 EXP
Henry's Law Constant 9.30E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 9.50E-13 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.