Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nitrobenzene
RN: 98-95-3
UNII: E57JCN6SSY
InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-O2

Molecular Weight

  • 123.1105
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Human Data
  • Insecticide
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reportable Quantity (RQ) = 1000 lb
  • Threshold Planning Quantity (TPQ) = 10000 lb
  • TWA (1 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans; BEI
  • TWA 1 ppm (5 mg/m3); skin

Names and Synonyms

Name of Substance

  • Nitrobenzene

Synonyms

  • AI3-01239
  • Caswell No. 600
  • CCRIS 2841
  • EC 202-716-0
  • EINECS 202-716-0
  • EPA Pesticide Chemical Code 056501
  • Essence of mirbane
  • HSDB 104
  • Mirbane oil
  • NCI-C60082
  • Nitrobenzeen
  • Nitrobenzeen [Dutch]
  • Nitrobenzen
  • Nitrobenzen [Polish]
  • Nitrobenzene
  • Nitrobenzol
  • NSC 9573
  • Oil of mirbane
  • Oil of myrbane
  • p-Nitrobenzene
  • RCRA waste number U169
  • UNII-E57JCN6SSY

Systematic Names

  • Benzene, nitro-
  • Nitrobenzene

Superlist Names

  • Benzene, nitro-
  • Mononitrobenzene
  • Nitrobenzene
  • Nitrobenzene [UN1662] [Poison]
  • RCRA waste no. U169
  • UN1662

Registry Numbers

CAS Registry Number

  • 98-95-3

FDA UNII

  • E57JCN6SSY

System Generated Number

  • 0000098953

Structure Descriptors

InChI

1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChIKey

LQNUZADURLCDLV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 1gm/kg (1000mg/kg)   U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 78, 1941.
cat LDLo skin 25gm/kg (25000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935.
dog LDLo intravenous 150mg/kg (150mg/kg)   U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 79, 1941.
dog LDLo oral 750mg/kg (750mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935.
guinea pig LDLo intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: COMA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896.
guinea pig LDLo subcutaneous 800mg/kg (800mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935.
mammal (species unspecified) LC50 inhalation 2gm/m3 (2000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
man LDLo unreported 35mg/kg (35mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LD50 oral 590mg/kg (590mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
mouse LDLo skin 480mg/kg (480mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 79, 1941.
mouse LDLo subcutaneous 286mg/kg (286mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Proceedings of the Society for Experimental Biology and Medicine. Vol. 42, Pg. 844, 1939.
rabbit LDLo oral 700mg/kg (700mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 805, 1966.
rabbit LDLo skin 600mg/kg (600mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935.
rat LC50 inhalation 556ppm/4H (556ppm) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
National Technical Information Service. Vol. 0TS0570970,
rat LD50 intraperitoneal 640mg/kg (640mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BEHAVIORAL: GENERAL ANESTHETIC

LIVER: FATTY LIVER DEGERATION
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat LD50 oral 349mg/kg (349mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
National Technical Information Service. Vol. OTS0559505,
rat LD50 skin 2100mg/kg (2100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat LDLo subcutaneous 800mg/kg (800mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1375, 1935.
women TDLo oral 200mg/kg (200mg/kg) VASCULAR: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: GENERAL ANESTHETIC
Archiv fuer Toxikologie. Vol. 28, Pg. 208, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 5.7 deg C   EXP
Boiling Point 210.8 deg C   EXP
log P (octanol-water) 1.85 (none)   EXP
Water Solubility 2090 mg/L 25 EXP
Vapor Pressure 0.245 mm Hg 25 EXP
Henry's Law Constant 2.40E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.40E-13 cm3/molecule-sec 25 EXP

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