Products 13531-48-1

CAS 13531-48-1 appears in our catalog under these names: Methyl 3-cyanobenzoate, 98%, Methyl 3-cyanobenzoate, 97%, 3-Cyanobenzoic Acid Methyl Ester, >95% (HPLC), 3–Cyanobenzoic acid methyl ester, Methyl 3-cyanobenzoate, 95% . Offered by: Combi-blocks, Chemat Brand, TRC, GLPBio, Thermo Scientific. Available pack sizes: 5g, 500g, 100g, 1kg, 25g, on request, 10g, 1g.

Methyl 3-cyanobenzoate, 98%
Combi-blocks
  • size: 5g, 500g, 100g, 1kg
  • Variants: 5
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Methyl 3-cyanobenzoate, 97%
Chemat Brand, Fluorochem
  • size: on request, 1g, 5g, 10g
  • Variants: 7
from 81.24
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3-Cyanobenzoic Acid Methyl Ester, >95% (HPLC)
TRC
  • size: 10g, 1g
  • Variants: 2
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3–Cyanobenzoic acid methyl ester
GLPBio
  • size: 100g, 25g, 500g
  • Variants: 3
from 545.55
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Methyl 3-cyanobenzoate, 95%
Thermo Scientific
  • size: 1g, 10g
  • Variants: 2
from 143.05
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Structural formula: {0} (CAS {1})

Methyl 3-cyanobenzoate is a benzoate ester.

Source: ChEBI

Identity
Molecular formulaC9H7NO2
Molecular weight161.16 g/mol
IUPAC namemethyl 3-cyanobenzoate
InChIKeyXPBHWSMZTSSEJE-UHFFFAOYSA-N
SMILESCOC(=O)C1=CC=CC(=C1)C#N

Computed by PubChem (NCBI)

Synonyms: methyl 3-cyanobenzoate, Benzoic acid, 3-cyano-, methyl ester, Methyl m-cyanobenzoate, InChI=1/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H, 3-Cyanobenzoic acid methyl ester, methyl-3-cyanobenzoate, 3-cyano-benzoic acid methyl ester, orb3030454, Fr13841
Isomers (same molecular formula)
1-(3-isocyanatophenyl)ethanone C9H7NO2
2-hydroxyimino-3H-inden-1-one C9H7NO2
2-hydroxy-1H-indole-3-carbaldehyde C9H7NO2
6-hydroxy-2H-isoquinolin-1-one C9H7NO2
methyl 2-ethynylpyridine-4-carboxylate C9H7NO2
3-acetyl-2-hydroxybenzonitrile C9H7NO2
1H-indole-5-carboxylic acid C9H7NO2
2-oxo-1,3-dihydroindole-5-carbaldehyde C9H7NO2
4-hydroxy-1H-indole-3-carbaldehyde C9H7NO2
2-ethynyl-1-methyl-4-nitrobenzene C9H7NO2
3-cyano-2-methylbenzoic acid C9H7NO2
methyl 5-ethynylpyridine-3-carboxylate C9H7NO2