Structural Formula Vector Image
Title: Nitrobenzene
CAS Registry Number: 98-95-3
Additional Names: Nitrobenzol; essence of mirbane; oil of mirbane
Molecular Formula: C6H5NO2
Molecular Weight: 123.11
Percent Composition: C 58.54%, H 4.09%, N 11.38%, O 25.99%
Literature References: Industrial prepn: Faith, Keyes & Clark's Industrial Chemicals, F. A. Lowenheim, M. K. Moran, Eds. (Wiley-Interscience, New York, 4th ed., 1975) p 571. Crystal structure: R. Boese et al., Struct. Chem. 3, 363 (1992). Vibrational spectra: V. A. Shlyapochnikov et al., J. Mol. Struct. 326, 1 (1994). HPLC determn of metabolite in urine: A. Astier, J. Chromatogr. 573, 318 (1992). Review of toxicology and human exposure: Toxicological Profile for Nitrobenzene (PB91-180398, 1990) 117 pp; of carcinogenic risk: IARC Monographs 65, 381-408 (1996). Review: R. L. Adkins in Kirk-Othmer Encyclopedia of Chemical Technology vol. 17 (Wiley-Interscience, New York, 4th ed., 1996) pp 133-152.
Properties: Colorless to pale yellow, oily liquid; odor of volatile oil almond. Poisonous! Use only with adequate ventilation. d415 1.205. mp 6°. bp 210-211°. Flash pt, closed cup: 190°F (88°C). nD20 1.5529. Volatile with steam. Sol in ~500 parts water; freely sol in alcohol, benzene, ether, oils. LD50 orally in rats: 600 mg/kg (PB91-108398).
Melting point: mp 6°
Boiling point: bp 210-211°
Flash point: Flash pt, closed cup: 190°F (88°C)
Index of refraction: nD20 1.5529
Density: d415 1.205
Toxicity data: LD50 orally in rats: 600 mg/kg (PB91-108398)
CAUTION: Potential symptoms of overexposure are irritation of skin and eyes; anoxia; dermatitis; anemia; methemoglobinemia. See NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p 226. This substance is reasonably anticipated to be a human carcinogen: Report on Carcinogens, Eleventh Edition (PB2005-104914) p III-190.
Use: For the manuf of aniline; in soaps, shoe polishes; for refining lubricating oils; manuf pyroxylin compds.

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