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N10950 Sigma-Aldrich

Nitrobenzene

ReagentPlus®, 99%

  • CAS Number 98-95-3

  • Empirical Formula (Hill Notation) C6H5NO2

  • Molecular Weight 123.11

  •  Beilstein/REAXYS Number 507540

  •  EC Number 202-716-0

  •  MDL number MFCD00007043

  •  PubChem Substance ID 329818483

  •  NACRES NA.21

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Properties

Related Categories ReagentPlus, ReagentPlus Solvent Grade Products, ACS and Reagent Grade Solvents, Amber Glass Bottles, Solvent Bottles,
Quality Level   100
vapor density   4.2 (vs air)
vapor pressure   0.15 mmHg ( 20 °C)
  50 mmHg ( 120 °C)
product line   ReagentPlus®
assay   99%
form   liquid
autoignition temp.   899 °F
expl. lim.   40 %
refractive index   n20/D 1.551 (lit.)
pH   8-8.5 (20 °C, 1 g/L)
bp   210-211 °C (lit.)
mp   5-6 °C (lit.)
density   1.196 g/mL at 25 °C (lit.)
SMILES string   [O-][N+](=O)c1ccccc1
InChI   1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChI key   LQNUZADURLCDLV-UHFFFAOYSA-N

Description

General description

Nitrobenzene is an aromatic compound that can be prepared by the nitration of benzene with nitric acid and sulfuric acid mixture. Reduced graphene oxide catalyzed reduction of nitrobenzene has been reported to form N-phenylhydroxylamine as an intermediate. The ability of nitrobenzene to cause DNA damage has been assessed in tobacco by single-cell gel electrophoresis (SCGE). The mechanism of photolysis of nitrobenzene has been reported.

Application

Nitrobenzene may be used as an oxidizing agent in the oxidative carbonylation of methanol in the presence of palladium diphosphane complexes.

Packaging

1, 4 L in glass bottle

18 L in steel drum

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Target organs 
Blood
RIDADR 
UN 1662 6.1 / PGII
WGK Germany 
WGK 3
RTECS 
DA6475000
Flash Point(F) 
190.4 °F
Flash Point(C) 
88 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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