
CAS Number5537-71-3
Synonyms3-(1-cyanoethyl)benzoic acid; NSC113992; Benzoic acid, 3-(1-cyanoethyl)-; EINECS 226-897-0; m-(1-Cyanoethyl)benzoic acid
Molecular FormulaCH3CH(CN)C6H4CO2H
Molecular Weight175.18
Purity97%
Melting Point145-148 °C (lit.)
EINECS226-897-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5537-71-3 |
| Catalog No. | 2A-9003542 |
| Synonyms | 3-(1-cyanoethyl)benzoic acid; NSC113992; Benzoic acid, 3-(1-cyanoethyl)-; EINECS 226-897-0; m-(1-Cyanoethyl)benzoic acid |
| Molecular Formula | CH3CH(CN)C6H4CO2H |
| Molecular Weight | 175.18 |
| Purity | 97 |
| Melting Point | 145-148 °C (lit.) |
| EINECS | 226-897-0 |
| HTC | 2926.90.4300 |
| MDL Number | MFCD00002520 |
| SMILES | CC(C#N)c1cccc(c1)C(O)=O |
| InChI | 1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13) |
| InChI Key | IRYIYPWRXROPSX-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 12352106 |
| Hazard Symbols | Xn |
| Risk Codes | R22;R41;R43 |
| Safety Description | S26;S36/37/38 |
| MSDS | msds/3542_1_5537_71_3.pdf |
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