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.   |