3-cyano-5-methylbenzoic acid (CAS 78621-81-5) — formula C9H7NO2, molecular weight 161.16; category organic chemicals.
| CAS Number | 78621-81-5 |
|---|---|
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.16 |
| LogP | 1.5 |
| Category | Organic Chemicals |
3-cyano-5-methylbenzoic acid is a carbon-based organic compound with CAS registry number 78621-81-5 and molecular formula C9H7NO2 (molecular weight 161.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 78621-81-5
Its molecular formula C9H7NO2 comprises 9 C, 7 H, 1 N, 2 O atoms.
Also known as: 3-cyano-5-methylbenzoic acid · 3-氰基-5-甲基苯甲酸
Category: organic chemicals
The CAS registry number of 3-cyano-5-methylbenzoic acid is 78621-81-5.
Molecular formula C9H7NO2, molecular weight 161.16.
It is also registered under: 3-cyano-5-methylbenzoic acid, 3-氰基-5-甲基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-cyano-5-methylbenzoic acid (CAS 78621-81-5), compiled from public chemistry databases.
| CAS Registry Number | 78621-81-5 |
|---|---|
| PubChem CID | 21942673 |
| Molecular formula | C9H7NO2 |
| IUPAC name | 3-cyano-5-methylbenzoic acid |
| Molecular Weight | 161.16 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 161.047678466 |
| Monoisotopic Mass | 161.047678466 |
| Topological Polar Surface Area | 61.1 |
| Heavy Atom Count | 12 |
3-cyano-5-methylbenzoic acid; 78621-81-5; DTXSID30620518; RefChem:278699; DTXCID70571272; 961-613-5; 3-cyano-5-methyl-benzoic acid; MFCD11007822; 3-Cyano-5-methylbenzoicacid; 3-methyl-5-cyanobenzoic acid; SCHEMBL2160802; JHRJIRAJMCHQHV-UHFFFAOYSA-N; Benzoic acid, 3-cyano-5-methyl-; AKOS006305375; AB62673; AS-33124
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
3-cyano-5-methylbenzoic acid · CAS 78621-81-5 · C9H7NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-氰基-5-甲基苯甲酸