Nitrobenzene CAS 98-95-3
98-95-3 - Names and IdentifiersNameNitrobenzeneSynonymsNCI-C60082Nitrobenzennitro-benzenNitrobe
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98-95-3 - Names and Identifiers
Name Nitrobenzene
Synonyms NCI-C60082
Nitrobenzen
nitro-benzen
Nitrobenzene
Nitrobenzeen
Benzene,nitro-
Oil of Myrbane
Oil of Myrbane-
essenceofmirbane
Essence of Mirbane
CAS 98-95-3
EINECS 202-716-0
InChI InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
98-95-3 - Physico-chemical Properties
Molecular Formula C6H5NO2
Molar Mass 123.11
Density 1.196 g/mL at 25 °C (lit.)
Melting Point 5-6 °C (lit.)
Boling Point 210-211 °C (lit.)
Flash Point 190°F
Water Solubility slightly soluble
Solubility 1.90g/l
Vapor Presure 0.15 mm Hg ( 20 °C)
Vapor Density 4.2 (vs air)
Appearance Liquid
Color Clear yellow
Exposure Limit TLV-TWA 1 ppm (～5 mg/m3) (ACGIH,MSHA, and OSHA); IDLH 200 ppm(NIOSH).
Merck 14,6588
BRN 507540
pKa 3.98(at 0℃)
PH 8.1 (1g/l, H2O, 20℃)
Storage Condition Store below +30°C.
Stability Stable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. Flammable. Note wide explosion limits.
Explosive Limit 1.8-40%(V)
Refractive Index n20/D 1.551(lit.)
Physical and Chemical Properties
The pure product is colorless to light yellow oily liquid.
melting point 5.85 ℃
boiling point 210.9 ℃
relative density 1.2037
refractive index 1.55296
flash point 88 ℃
soluble in ethanol, ether and benzene, slightly soluble in water.
The Pure product is a colorless to pale yellow oily liquid. Soluble in ethanol, ether and benzene, water-soluble.
Use Nitrobenzene is an important organic intermediate thereof. Nitrobenzene was sulfonated with sulfur trioxide to obtain m-nitrobenzene sulfonic acid. It can be used as a dye intermediate, mild oxidant and anti-dye salt s. Nitrobenzene was sulfonated with chlorosulfonic acid to obtain m-nitrobenzenesulfonyl chloride, which was used as intermediate of dye, medicine and so on. Nitrobenzene is chlorinated to M-nitrochlorobenzene, which is widely used in the production of dyes and pesticides. After reduction, M-chloroaniline can be obtained. Used as a dye orange GC, is also a pharmaceutical, pesticide, fluorescent whitening agent, organic pigment intermediates. Nitrobenzene re-nitration can be m-dinitrobenzene, by reduction can be m-phenylenediamine, used as dye intermediates, epoxy resin curing agent, petroleum additives, Cement accelerator, M-dinitrobenzene such as sodium sulfide for part also principle to M-nitroaniline. For the dye orange base R, is an intermediate of azo dyes and organic pigments.
98-95-3 - Risk and Safety
Risk Codes R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R40 - Limited evidence of a carcinogenic effect
R48/23/24 -
R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R62 - Possible risk of impaired fertility
R39/23/24/25 -
R11 - Highly Flammable
R36/37/38 - Irritating to eyes, respiratory system and skin.
R60 - May impair fertility
R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R48/23/24/25 -
R36 - Irritating to the eyes
R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description S28 - After contact with skin, wash immediately with plenty of soap-suds.
S36/37 - Wear suitable protective clothing and gloves.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61 - Avoid release to the environment. Refer to special instructions / safety data sheets.
S28A -
S16 - Keep away from sources of ignition.
S7 - Keep container tightly closed.
S27 - Take off immediately all contaminated clothing.
S53 - Avoid exposure - obtain special instructions before use.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs UN 1662 6.1/PG 2
WGK Germany 2
RTECS DA6475000
TSCA Yes
HS Code 29042010
Hazard Class 6.1
Packing Group II
Toxicity LD50 orally in rats: 600 mg/kg (PB91-108398)
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