CAS 98-95-3: Nitrobenzene (C6H5NO2)

Identity

CAS Number	98-95-3
Molecular Formula	C6H5NO2
IUPAC Name	nitrobenzene
Molecular Weight	123.11 g/mol
SMILES	`c1ccc(cc1)[N+](=O)[O-]`
Synonyms	nitrobenzene, oil of mirbane, mononitrobenzene, MNB

2D Structure

Physical Properties

Density	1.199 g/mL at 25°C
Boiling Point	210.8°C
Melting Point	5.7°C
Flash Point	88.0°C
Vapor Pressure	0.03 kPa at 20°C
Refractive Index	nD = 1.552
Dielectric Constant	ε = 35.6

Safety & GHS Classification

GHS06Health HazardGHS09

H301: Toxic if swallowed
H311: Toxic in contact with skin
H331: Toxic if inhaled
H341: Suspected of causing genetic defects
H350: May cause cancer
H361: Suspected of damaging fertility or the unborn child
H372: Causes damage to organs through prolonged or repeated exposure
H410: Very toxic to aquatic life with long lasting effects

Storage: Store in well-ventilated area away from heat and reducing agents. Highly toxic — handle with extreme care. Store in locked hazardous materials cabinet. Use in fume hood with full PPE. Separate from strong oxidizers and reducing agents.