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Substance Name: 2-Nitrotoluene
RN: 88-72-2
UNII: 6Q9N88YIAY
InChIKey: PLAZTCDQAHEYBI-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

Names and Synonyms

Name of Substance

  • 2-Nitrotoluene

Synonyms

  • 1-Methyl-2-nitrobenzene
  • 2-Methyl-1-nitrobenzene
  • 2-Methylnitrobenzene
  • 2-Nitrotoluene
  • 2-Nitrotoluol
  • AI3-16311
  • CCRIS 1224
  • EC 201-853-3
  • EINECS 201-853-3
  • HSDB 2189
  • Nitrotoluene, all isomers
  • NSC 9577
  • o-Methylnitrobenzene
  • o-Nitrotoluene
  • o-Nitrotoluol
  • ONT
  • ortho-Nitrotoluol
  • Toluene, o-nitro-
  • UNII-6Q9N88YIAY

Systematic Names

  • 2-Nitrotoluene
  • Benzene, 1-methyl-2-nitro-
  • Toluene, o-nitro-

Superlist Names

  • 2-Nitrotoluene
  • Benzene, 1-methyl-2-nitro-
  • Nitrotoluene, o-
  • Nitrotoluene, o-isomer
  • o-Nitrotoluene
  • o-Nitrotoluene, liquid
  • o-Nitrotoluene, liquid [UN1664] [Poison]
  • Toluene, o-nitro-
  • UN1664

Registry Numbers

CAS Registry Number

  • 88-72-2

FDA UNII

  • 6Q9N88YIAY

Other Registry Number

  • 57158-05-1

System Generated Number

  • 0000088722

Structure Descriptors

InChI

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

InChIKey

PLAZTCDQAHEYBI-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 328mg/m3 (328mg/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 970mg/kg (970mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rabbit LD50 oral 1750mg/kg (1750mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LIVER: FATTY LIVER DEGERATION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat LC50 inhalation 790mg/m3 (790mg/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 891mg/kg (891mg/kg)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+01 deg C   EXP
Boiling Point 222 deg C   EXP
log P (octanol-water) 2.3 (none)   EXP
Water Solubility 650 mg/L 30 EXP
Henry's Law Constant 1.25E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.00E-13 cm3/molecule-sec 25 EXP

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