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676756 Sigma-Aldrich

Toluene

ACS reagent, ≥99.5%

  • CAS Number 108-88-3

  • Linear Formula C6H5CH3

  • Molecular Weight 92.14

  •  Beilstein/REAXYS Number 635760

  •  EC Number 203-625-9

  •  MDL number MFCD00008512

  •  PubChem Substance ID 329760650

  •  NACRES NA.21

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Properties

Related Categories Aluminum Bottles, Solvent Bottles, Solvent Packaging Options, Solvents
Quality Level   200
grade   ACS reagent
vapor density   3.2 (vs air)
vapor pressure   22 mmHg ( 20 °C)
  26 mmHg ( 25 °C)
assay   ≥99.5%
form   liquid
autoignition temp.   997 °F
expl. lim.   7 %
application(s)   toxicology assay: suitable
impurities   H2SO4, passes test (darkened)
  ≤0.003% S compounds
  ≤0.03% Water
evapn. residue   ≤0.001%
refractive index   n/D 1.496 (lit.)
bp   110-111 °C (lit.)
mp   -93 °C (lit.)
solubility   acetone: miscible(lit.)
  alcohol: miscible(lit.)
  carbon disulfide: miscible(lit.)
  chloroform: miscible(lit.)
  glacial acetic acid: miscible(lit.)
density   0.865 g/mL at 25 °C (lit.)
SMILES string   Cc1ccccc1
InChI   1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI key   YXFVVABEGXRONW-UHFFFAOYSA-N

Description

General description

Toluene, also known as methylbenzene, is a flammable liquid with a pungent odor. It is a constituent of crude oil. Toluene is widely used as a precursor for synthesizing benzene, a gasoline additive, and as a solvent in the paint industry. Its toxicological effects have been investigated. Alkylation of toluene to form p-xylene with high selectivity using modified ZSM (Zeolite Socony Mobil)-5-class zeolite catalysts has been reported. Electrical properties of graphene can be altered by doping it with toluene, which serves as an electron donor. Temperature programmed hydrogenation (TPH) of toluene in the gas phase in the presence of supported metal catalysts has been studied.

Packaging

4, 4×4 L in aluminum bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Target organs 
Central nervous system
RIDADR 
UN1294 - class 3 - PG 2 - Toluene
WGK Germany 
WGK 2
RTECS 
XS5250000
Flash Point(F) 
39.2 °F
Flash Point(C) 
4.0 °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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