Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester
CAS Registry Number®
90725-68-1
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CAS Name
Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl esterMolecular Formula
C9H8BrNO4Molecular Mass
274.07Cite this Page
Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=90725-68-1 (retrieved ) (CAS RN: 90725-68-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
76-77 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H8BrNO4/c1-15-9(12)8-4-7(11(13)14)3-2-6(8)5-10/h2-4H,5H2,1H3
InChIKey
InChIKey=OAEABYNRBPCSQB-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=C(CBr)C=CC(N(=O)=O)=C1
Canonical SMILES
O=C(OC)C1=CC(=CC=C1CBr)N(=O)=O
Other Names for this Substance
- Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester
- o-Toluic acid, α-bromo-5-nitro-, methyl ester
- Methyl 2-(bromomethyl)-5-nitrobenzoate
- EC2-053
