Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester

CAS Registry Number®

98475-07-1

CAS Name

Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester

Molecular Formula

C9H8BrNO4

Molecular Mass

274.07

Cite this Page

Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98475-07-1 (retrieved 2024-09-28) (CAS RN: 98475-07-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    67-70 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3

InChIKey

InChIKey=FCGIVHSBEKGQMZ-UHFFFAOYSA-N

SMILES

C(Br)C1=C(C(OC)=O)C=CC=C1N(=O)=O

Canonical SMILES

O=C(OC)C1=CC=CC(=C1CBr)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester
  • 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester
  • Methyl 2-(bromomethyl)-3-nitrobenzoate

CAS INSIGHTSTM
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