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Substance Name: 4-Nitrotoluene
RN: 99-99-0
UNII: E88IMG14EX
InChIKey: ZPTVNYMJQHSSEA-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

  • 4-Nitrotoluene

Synonyms

  • 1-Methyl-4-nitrobenzene
  • 4-Methylnitrobenzene
  • 4-Nitrotoluene
  • 4-Nitrotoluol
  • AI3-15394
  • CCRIS 2313
  • EC 202-808-0
  • EINECS 202-808-0
  • HSDB 1158
  • NCI 9579
  • NCI-C60537
  • Nitrotoluenos
  • Nitrotoluenos [Spanish]
  • NSC 9579
  • p-Methylnitrobenzene
  • p-Nitrotoluene
  • para-Nitrotoluol
  • Toluene, p-nitro-
  • UNII-E88IMG14EX

Systematic Names

  • 1-Methyl-4-nitrobenzene
  • 4-Nitrotoluene
  • Benzene, 1-methyl-4-nitro-
  • p-Nitrotoluene
  • Toluene, p-nitro-

Superlist Names

  • 4-Nitrotoluene
  • Benzene, 1-methyl-4-nitro-
  • Nitrotoluene, all isomers
  • Nitrotoluene, p-
  • Nitrotoluene, p-isomer
  • p-Nitrotoluene
  • p-Nitrotoluene, liquid or solid
  • p-Nitrotoluene, liquid or solid [UN1664] [Poison]
  • Toluene, p-nitro-
  • UN1664

Registry Numbers

CAS Registry Number

  • 99-99-0

FDA UNII

  • E88IMG14EX

System Generated Number

  • 0000099990

Structure Descriptors

InChI

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

InChIKey

ZPTVNYMJQHSSEA-UHFFFAOYSA-N

Smiles

c1([N+](=O)[O-])ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 419mg/m3 (419mg/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 1231mg/kg (1231mg/kg)   National Technical Information Service. Vol. PB214-270,
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 975mg/m3 (975mg/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 intraperitoneal 940mg/kg (940mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat LD50 oral 1960mg/kg (1960mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rat LD50 skin > 16gm/kg (16000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat LD50 skin > 16gm/kg (16000mg/kg) LIVER: FATTY LIVER DEGERATION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51.6 deg C   EXP
Boiling Point 238.3 deg C   EXP
log P (octanol-water) 2.37 (none)   EXP
Water Solubility 442 mg/L 30 EXP
Vapor Pressure 0.164 mm Hg 25 EXP
Henry's Law Constant 5.63E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.72E-13 cm3/molecule-sec 25 EST

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