4-Bromo-2-methylphenyl isocyanate

CAS Registry Number®

1591-98-6
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CAS Name

4-Bromo-2-methylphenyl isocyanate

Molecular Formula

C8H6BrNO

Molecular Mass

212.04

Cite this Page

4-Bromo-2-methylphenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1591-98-6 (retrieved 2024-04-25) (CAS RN: 1591-98-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    78 °C @ Press: 1 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6BrNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3

InChIKey

InChIKey=NXAYRHQYINQHRF-UHFFFAOYSA-N

SMILES

N(=C=O)C1=C(C)C=C(Br)C=C1

Canonical SMILES

O=C=NC1=CC=C(Br)C=C1C

Other Names for this Substance

  • Benzene, 4-bromo-1-isocyanato-2-methyl-
  • Isocyanic acid, 4-bromo-o-tolyl ester
  • 4-Bromo-1-isocyanato-2-methylbenzene
  • 4-Bromo-2-methylphenyl isocyanate

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