Nitrotoluene
Title: Nitrotoluene
CAS Name: Methylnitrobenzene
Molecular Formula: C7H7NO2
Molecular Weight: 137.14
Percent Composition: C 61.31%, H 5.14%, N 10.21%, O 23.33%
Literature References: Nitration of toluol by a mixture of HNO3 and H2SO4 yields principally o- and p-nitrotoluol. Prepn of m-nitrotoluene from 3-nitro-4-amino-toluene and NaNO2: Clark, Taylor, Org. Synth. 3, 91 (1923).
 
Derivative Type: m-Nitrotoluene
CAS Registry Number: 99-08-1
Additional Names: 3-Nitrotoluene
Properties: Liquid. d415 1.1630; d420 1.1581; d459 1.124; d4121 1.063. Solidifies in an ice and salt cooling mixture; mp 15°. bp760 232°; bp100 156.9°; bp40 130.7°; bp20 112.8°; bp10 96.0°; bp5 81.0°; bp1.0 50.2°. nD30 1.5426. Absorption spectrum: Marchlewski, Mayer, Bull. Acad. Polon. [A] 1929, 188. Miscible with alcohol and ether. Sol in benzene. Soly in water at 30° (mg/l): 498. Log P (octanol/water): 2.40.
Melting point: mp 15°
Boiling point: bp760 232°; bp100 156.9°; bp40 130.7°; bp20 112.8°; bp10 96.0°; bp5 81.0°; bp1.0 50.2°
Index of refraction: nD30 1.5426
Log P: Log P (octanol/water): 2.40
Density: d415 1.1630; d420 1.1581; d459 1.124; d4121 1.063
 
Derivative Type: o-Nitrotoluene
CAS Registry Number: 88-72-2
Additional Names: 2-Nitrotoluene
Literature References: Technical report: NTP Technical Report on the Toxicology and Carcinogenesis Studies of o-Nitrotoluene (NTP TR-504/NIH 02-4438, 2002) 368 pp.
Properties: Yellowish liquid at ordinary temp. d1519 1.1622. mp -9.3°. bp 220.4°. nD20 1.5472. Soly in water at 30° (mg/l): 652. Sol in alcohol, benzene, petr ether. Log P (octanol/water): 2.30.
Melting point: mp -9.3°
Boiling point: bp 220.4°
Index of refraction: nD20 1.5472
Log P: Log P (octanol/water): 2.30
Density: d1519 1.1622
 
Derivative Type: p-Nitrotoluene
CAS Registry Number: 99-99-0
Additional Names: 4-Nitrotoluene
Literature References: Technical report: NTP Technical Report on the Toxicology and Carcinogenesis Studies of p-Nitrotoluene (NTP TR-498/NIH 02-4432, 2002) 277 pp.
Properties: Yellowish crystals. d 1.286. mp 51.7°. bp 238.3°. Flash pt 106°C. Soly in water at 30° (mg/l): 442. Sol in alcohol, benzene, ether, chloroform, acetone. Log P (octanol/water): 2.37.
Melting point: mp 51.7°
Boiling point: bp 238.3°
Flash point: Flash pt 106°C
Log P: Log P (octanol/water): 2.37
Density: d 1.286
 
CAUTION: Potential symptoms of overexposure are anoxia, cyanosis; headache, lassitude, dizziness; ataxia; dyspnea; tachycardia; nausea, vomiting. See NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 2003) p 232.
Use: Manuf of dyes, toluidines, nitrobenzoic acids, agricultural and rubber chemicals.

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