Nitrobenzene CAS#98-95-3

CAS Number: 98-95-3
Chemical Formula: C6H5NO2
Synonyms:

Oil of Myrbane
Nitrobenzen
essenceofmirbane

Appearance: Yellow Liquid

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

Nitrobenzene CAS#98-95-3

Nitrobenzene (chemical formula: C6H4NO2) is a yellowish, oily, aromatic nitro-compound. The most important application of nitrobenzene (consuming 95%) is for the manufacturing of aniline, which is an important industrial precursor. Besides aniline, it can also be used to generate related derivatives such as azobenzene, nitrosobenzene and phenylhydroxylamine. Moreover, it can be used for the production of lubricating oils, dyes, drugs, pesticides, and synthetic rubber. Another special application of it is masking unpleasant odors emitting from shoe, floor polisher, and leather as well as paint solvents. In addition, it can sometime used as a solvent, especially for electrophilic reagents in the laboratory. The nitrobenzene is mainly manufactured through the nitration of benzene with the mixture of concentrated sulfuric acid, water and nitric acid. However, the reaction process is quite dangerous due to the exothermicity of the reaction.

Nitrobenzene Chemical Properties

Melting point	5-6 °C (lit.)
Boiling point	210-211 °C (lit.)
density	1.196 g/mL at 25 °C (lit.)
vapor density	4.2 (vs air)
vapor pressure	0.15 mm Hg ( 20 °C)
refractive index	n20/D 1.551(lit.)
Fp	190 °F
storage temp.	Store below +30°C.
solubility	1.90g/l
pka	3.98(at 0℃)
form	Liquid
color	Clear yellow
PH	8.1 (1g/l, H2O, 20℃)
Relative polarity	4.5
explosive limit	1.8-40%(V)
Water Solubility	slightly soluble
Merck	14,6588
BRN	507540
Henry's Law Constant	9.86 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
Dielectric constant	35.7（20℃）
Exposure limits	TLV-TWA 1 ppm (～5 mg/m3) (ACGIH, MSHA, and OSHA); IDLH 200 ppm (NIOSH).
Stability:	Stable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. Flammable. Note wide explosion limits.
InChI	1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey	LQNUZADURLCDLV-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1ccccc1
LogP	1.86 at 24.5℃ and pH7.9
Surface tension	43.9mN/m at 20°C
CAS DataBase Reference	98-95-3(CAS DataBase Reference)
IARC	2B (Vol. 65) 1996
NIST Chemistry Reference	Benzene, nitro-(98-95-3)
EPA Substance Registry System	Nitrobenzene (98-95-3)

Safety Information

Hazard Codes	T,N,F,Xn
Risk Statements	23/24/25-40-48/23/24-51/53-62-39/23/24/25-11-36/37/38-60-52/53-48/23/24/25-36-20/21/22
Safety Statements	28-36/37-45-61-28A-16-7-27-53-26
RIDADR	UN 1662 6.1/PG 2
OEB	B
OEL	TWA: 1 ppm (5 mg/m3) [skin]
WGK Germany	2
RTECS	DA6475000
Autoignition Temperature	899 °F
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	II
HS Code	29042010
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Aquatic Chronic 3 Carc. 2 Repr. 1B STOT RE 1 Inhalation
Hazardous Substances Data	98-95-3(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 600 mg/kg (PB91-108398)
IDLA	200 ppm

Product Application of Nitrobenzene CAS#98-95-3

Nitrobenzene is a synthetic, volatile compound produced primarily for use to manufacture aniline. It is also used as a solvent in refining petroleum and lubricating oils, and in production of dyes, synthetic rubber, pesticides, and drugs including acetaminophen and metoclopramide. Small amounts of nitrobenzene are used as a flavoring agent for soaps and as a solvent for shoe dyes (HSDB, 2009; IARC, 1996). Dinitrobenzene isomers (1, 2-, 1, 3-, and 1, 4-) are used in organic synthesis of dyes, pesticides, and industrial solvents. 1,3-Dinitrobenzene and 1,3,5-trinitrobenzene are chemicals found in the production of explosives.
Nitrobenzene and all isomers (1,2-, 1,3-, and 1,4-) of dinitrobenzene can be absorbed by all routes of exposures and may cause irritation in the respiratory tract and skin. 1,3- Dinitrobenzene and 1,3,5-trinitrobenzene are of severe explosive hazard.

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