Molecular Structure:
CAS No.:
5537-71-3
Product Name.:
CCD No.:CCD00002441
Formula:C10H9NO2
MolWeight:175.186
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| Product Name： | 3-(1-CYANOETHYL)BENZOIC ACID |
| CAS： | 5537-71-3 |
| English Synonyms： | 3-(CYANOETHYL)BENZOIC ACID ; BEPHARM B12864 ; M-(1-CYANOETHYL)BENZOIC ACID ; BENZOIC ACID, 3-(1-CYANOETHYL)- ; 3-(1-CYANOETHYL)BENZOIC ACID ; APAC 810592 ; EMOLECULES 488487 |
| MDL Number.： | MFCD00002520 |
| H bond acceptor： | 3 |
| H bond donor： | 1 |
| Smile： | C(#N)C(C)C=1C=C(C(=O)O)C=CC1 |
| InChi： | InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13) |
| InChiKey： | InChIKey=IRYIYPWRXROPSX-UHFFFAOYSA-N |
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| Melting Point： | 145-148 DEG C(LIT) |
| Comments： | UNSPSC: 12352100 WGK: 3 |
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| Symbol： |
GHS05
GHS07
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| Signal word： | Danger |
| Hazard statements： | H302-H317-H318 |
| Precautionary statements： | P280-P305 + P351 + P338 |
| hazard symbol： | Xn |
| Risk Code： | R:22-41-43 |
| Safe Code： | S:26-36/37/39 |
| WGK Germany： | 3 |
Basic Information
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