Methyl 3-cyanobenzoate (CAS 13531-48-1) — formula C9H7NO2, molecular weight 161.16; category organic chemicals.
| CAS Number | 13531-48-1 |
|---|---|
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.16 |
| LogP | 1.8 |
| Applications | General Manufacturing Information: Benzoic acid, 3-cyano-, methyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzoic acid, 3-cyano-, methyl ester: INACTIVE.
Methyl 3-cyanobenzoate is a carbon-based organic compound with CAS registry number 13531-48-1 and molecular formula C9H7NO2 (molecular weight 161.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13531-48-1
Its molecular formula C9H7NO2 comprises 9 C, 7 H, 1 N, 2 O atoms.
Also known as: Methyl 3-cyanobenzoate · 3-氰基苯甲酸甲酯
Category: organic chemicals
The CAS registry number of Methyl 3-cyanobenzoate is 13531-48-1.
Molecular formula C9H7NO2, molecular weight 161.16.
It is also registered under: Methyl 3-cyanobenzoate, 3-氰基苯甲酸甲酯.
Recorded applications: General Manufacturing Information: Benzoic acid, 3-cyano-, methyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for Methyl 3-cyanobenzoate (CAS 13531-48-1), compiled from public chemistry databases.
| 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 |
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
| 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 · CAS 13531-48-1 · C9H7NO2. UNII T4FQ47T45F.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-氰基苯甲酸甲酯