3-氰基苯甲酸甲酯，CAS 登记号 13531-48-1，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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Methyl 3-cyanobenzoate · CAS 13531-48-1 · C9H7NO2. UNII T4FQ47T45F.
| CAS Registry Number | 13531-48-1 |
|---|---|
| PubChem CID | 83554 |
| Molecular formula | C9H7NO2 |
| IUPAC name | methyl 3-cyanobenzoate |
| UNII (FDA) | T4FQ47T45F |
| Molecular Weight | 161.16 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 161.047678466 |
| Monoisotopic Mass | 161.047678466 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| GHS notification summary | 33.3% (1 / 3) |
|---|
| GHS notification summary | 33.3% (1 / 3) |
|---|---|
| Reported hazard statements | H302 (66.7%), H312 (66.7%), H315 (33.3%), H319 (33.3%), H332 (66.7%), H335 (33.3%) |
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
methyl 3-cyanobenzoate; Benzoic acid, 3-cyano-, methyl ester; Methyl m-cyanobenzoate; DTXSID4065521; RefChem:118401; DTXCID5034307; 620-003-6; InChI=1/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H; 13531-48-1; 3-Cyanobenzoic acid methyl ester; MFCD00220156; methyl-3-cyanobenzoate; 3-cyano-benzoic acid methyl ester; METHYL3-CYANOBENZOATE; SCHEMBL60040; 3-CN-C6H4-COOCH3
CAS 13531-48-1; molecular formula C9H7NO2; molecular weight — g/mol.
methyl 3-cyanobenzoate, Benzoic acid, 3-cyano-, methyl ester, Methyl m-cyanobenzoate, DTXSID4065521, RefChem:118401, DTXCID5034307.
33.3% of GHS notifications report no hazard classification (1 of 3).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.