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284513 Sigma-Aldrich

Chlorobenzene

anhydrous, 99.8%

  • CAS Number 108-90-7

  • Empirical Formula (Hill Notation) C6H5Cl

  • Molecular Weight 112.56

  •  Beilstein/REAXYS Number 605632

  •  EC Number 203-628-5

  •  MDL number MFCD00000530

  •  PubChem Substance ID 57648304

  •  NACRES NA.21

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Properties

Related Categories Anhydrous Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents,
Quality Level   100
grade   anhydrous
vapor density   3.86 (vs air)
vapor pressure   11.8 mmHg ( 25 °C)
assay   99.8%
form   liquid
autoignition temp.   1178 °F
expl. lim.   7.1 %
impurities   <0.005% water
evapn. residue   <0.0005%
refractive index   n20/D 1.524 (lit.)
bp   132 °C (lit.)
mp   −45 °C (lit.)
density   1.106 g/mL at 25 °C (lit.)
SMILES string   Clc1ccccc1
InChI   1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChI key   MVPPADPHJFYWMZ-UHFFFAOYSA-N

Description

Application

Chlorobenzene may be used in the arylation of 2-isobutylthiazole in the presence of palladium (II) acetate-butyldi-1-adamantylphosphine to form 5-phenyl-2-isobutylthiazole. It may also be used as a solvent for the synthesis of rhodium II tetrakis(triphenylacetate) dimer, an efficient rhodium catalyst for nitrene C-H insertion reactions.

Packaging

1, 2 L in Sure/Seal™

100 mL in Sure/Seal™

Other Notes

The article number 284513-6X1L will be discontinued. Please order the single bottle 284513-1L which is physically identical with the same exact specifications.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
RIDADR 
UN1134 - class 3 - PG 3 - Chlorobenzene
WGK Germany 
WGK 2
RTECS 
CZ0175000
Flash Point(F) 
80.6 °F
Flash Point(C) 
27 °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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