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Catalog Number : CS-T-59335
CAS Number : 98-95-3
Status :
Category : Intermediates
Molecular Weight : 123.11 mol/g
Molecular Formula : C6H5NO2
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Hazardous Compound : Yes

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Canonical SMILES : C1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES : C1=CC=C(C=C1)[N+](=O)[O-]
InChI : InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
IUPAC Name : nitrobenzene
Exact Mass : 123.032028402
Color : Greenish-yellow crystals or yellow, oily liquid
Odor : Odor of volatile oil almond
Melting Point : 42 °F (EPA, 1998)
Boiling Point : 411.4 °F at 760 mm Hg (EPA, 1998)
Solubility : Insoluble (<1 mg/ml at 75° F) (NTP, 1992)
Density : 1.2037 at 68 °F (EPA, 1998)
Chemical Classes : Nitrogen Compounds -> Nitros, Aromatic
Use Classification : Chemical Classes -> Volatile organic compounds
Industry Uses : Intermediates
Hazard Class : Carc. 2
Description : Nitrobenzene is a nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. It is a member of nitrobenzenes and a nitroarene.
Disposal Methods : Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U169, F004, and D036 must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
EC Number : 202-716-0
Vapor Pressure : 1 mm Hg at 111.92 °F (EPA, 1998)
Toxicity Summary : IDENTIFICATION: Nitrobenzene is a colorless to pale yellow oily liquid with an odor similar to bitter almonds or shoe polish. It is soluble in water and it represents a fire hazard. Nitrobenzene is a synthetic chemical. It does not occur naturally. Its main use is in the synthesis of aniline and is used as a chemical intermediate to produce polyurethane. It is used as a solvent during petroleum refining and in the manufacture of cellulose ethers and acetates. It is used to produce dinitrobenzenes, dichloroanilines and in the synthesis of other compounds including acetominophen. HUMAN EXPOSURE: Nitrobenzene can be inhaled or by skin penetration. Nitrobenzene has been detected in ambient air and water and in finished water supplies. Nitrobenzene is found in fish. Occupational exposure occurs in petroleum plants and other facilities that produce nitrobenzene. The spleen is the target organ in humans occupationally exposed to this chemical. The spleen in tender and enlarged. Liver effects including hepatic enlargement and tenderness and altered serum chemistries have been reported in a woman exposed to nitrobenzene by inhalation. Headache, confusion, vertigo and nausea were reported. Orally exposed persons have included symptoms of apnea and coma. ANIMAL/PLANT/BACTERIAL STUDIES: Nitrobenzene causes toxicity in multiple organs by all routes of exposure, This solvent causes methemoglobinemia based on all routes of administration. All exposure routes are associated with hemolytic anemia, splenic conjestion, liver, bone marrow and spleen hematopoiesis. In rats, nitrobenzene caused splenic capsular lesions via gavage or dermal application. Effects on the liver were noted in rats and mice after both gavage and dermal application of nitrobenzene with centrilobular hepatocyte necrosis, hepatocellular nucleolar enlargement, severe hydroscopic degeneration and pigment accumulation in Kupfer cells. Incleased vacuolation of the X zone of the adrenal gland was noted in female mice after oral administration and dermal dosing. In subchronic oral and dermal studies in rats and mice, central nervous system lesions in the cerebellum and brainstem was life threatening. These lesions included petechial hemorrhages and hepatic toxicity. Dose dependent neurological effects included ataxia, head tilt, arching, loss of righting reflex, tremors, coma and consulsions were noted. Other target organs included kidney (increased kidney weight, glomerular and tubular epithelial swelling, pigmentation of tubular epithelial cells), nasal epithellium (glandularization of respiratory epithelium, pigment disposition and degeneration of olfactory epithellium), thyroid (follicular cell hyperplasia), thymus (involution) and pancreas (mononuclear cell infiltration) while lung pathology (emphysema, atelectasis and bronchiolization of alveolar celll walls) was reported in rabbits. In an inhalation study using male and female B6C3F1 mice and male and female Fischer 344 rats and male Sprague Dawley rats, survival was not adversely affected at the concentrations tested for mice; but nitrobenzene was toxic and carcinogenic in both species and both rat strains including a spectrum of benign and malignant (lung, thyroid, mammary gland, liver and kidney) neoplasms. Nitrobenzene was not genotoxic in bacteria and mammalian ceells in vitro and mammalian cells in vivo. Studies reported DNA damage in repair assays, genetic mutation assays, chromosomal effects assays and cell transformation assays. Nitrobenzene was a testicular toxicant. Nitrobenzene appears to be toxic to bacteria and may adversely affect sewage facilities. The toxicity of nitrobenzene to fresh water invertebrates, Daphnia, marine invertebrates and fish indicate high acute toxicity.[
Antidoteand Emergency Treatment : In rare cases of accidental poisoning by nitrobenzene treatment applied incl 3 exchange transfusions, 5 hyperbaric oxygen therapy sessions, which resulted in cure on 24th day.
Human Toxicity Excerpts : /HUMAN EXPOSURE STUDIES/ Quantitative estimates of nitrobenzene's pulmonary absorption were provided by ... a continuous 6-hour exposure of nitrobenzene (5 to 30 ug/L; 1 to 6 ppm) to seven human research subjects (adult males, age unstated). Subjects were exposed to nitrobenzene through a mask that also permitted expired air to be collected and analyzed for nitrobenzene. The amount of nitrobenzene absorbed, estimated as the difference between the amount inhaled and the amount exhaled, ranged from 8.4 to 67.6 mg. The retention of nitrobenzene vapors in the lungs averaged 80%, varying from a mean value of 87% in the first hour to 73% in the sixth hour.

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