3-Bromotoluene

CAS Registry Number®

591-17-3
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CAS Name

3-Bromotoluene

Molecular Formula

C7H7Br

Molecular Mass

171.03

Cite this Page

3-Bromotoluene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=591-17-3 (retrieved 2024-05-03) (CAS RN: 591-17-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    183.7 °C @ Press: 760 Torr

  • Melting Point (1)

    -39.8 °C

  • Density (1)

    1.4099 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey

InChIKey=WJIFKOVZNJTSGO-UHFFFAOYSA-N

SMILES

BrC1=CC(C)=CC=C1

Canonical SMILES

BrC1=CC=CC(=C1)C

Other Names for this Substance

  • Benzene, 1-bromo-3-methyl-
  • Toluene, m-bromo-
  • 1-Bromo-3-methylbenzene
  • 3-Bromo-1-methylbenzene
  • m-Bromotoluene

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