3–Cyanobenzoic acid methyl ester

cas: 13531-48-1 — see every product listed under this CAS number, including other names

3–Cyanobenzoic acid methyl ester (CAS 13531-48-1) is a chemical reagent available from Chemat. Available pack sizes: 100g, 25g, 500g. Offered by: GLPBio.

brandGLPBio
catalog numberGD08162-100g
cas13531-48-1
size100g
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Available pack sizes

brand size price
GLPBio 100g 915.31 Pln
GLPBio 25g 545.55 Pln
GLPBio 500g 2904.53 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
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

Also listed as

Methyl 3-cyanobenzoate, 98% Combi-blocks CAS 13531-48-1
Methyl 3-cyanobenzoate, 97% Chemat Brand CAS 13531-48-1
3-Cyanobenzoic Acid Methyl Ester, >95% (HPLC) TRC CAS 13531-48-1
Methyl 3-cyanobenzoate, 95% Thermo Scientific CAS 13531-48-1