3-(CYANOMETHYL)BENZOIC ACID (CAS 5689-33-8) — formula C9H7NO2, molecular weight 161.16; category organic chemicals.
3-(CYANOMETHYL)BENZOIC ACID (CAS 5689-33-8) is a chemical raw material in the organic chemicals category. Its molecular formula C9H7NO2 comprises 9 C, 7 H, 1 N, 2 O atoms. Its molecular weight is about 161.16. Reported physicochemical data: LogP about 1.3. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 5689-33-8 |
|---|---|
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.16 |
| LogP | 1.3 |
| Category | Organic Chemicals |
3-(CYANOMETHYL)BENZOIC ACID is a carbon-based organic compound with CAS registry number 5689-33-8 and molecular formula C9H7NO2 (molecular weight 161.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5689-33-8
Its molecular formula C9H7NO2 comprises 9 C, 7 H, 1 N, 2 O atoms.
Also known as: 3-(CYANOMETHYL)BENZOIC ACID · 3-(氰基甲基)苯甲酸
Category: organic chemicals
The CAS registry number of 3-(CYANOMETHYL)BENZOIC ACID is 5689-33-8.
Molecular formula C9H7NO2, molecular weight 161.16.
It is also registered under: 3-(CYANOMETHYL)BENZOIC ACID, 3-(氰基甲基)苯甲酸.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-(CYANOMETHYL)BENZOIC ACID (CAS 5689-33-8), compiled from public chemistry databases.
| CAS Registry Number | 5689-33-8 |
|---|---|
| PubChem CID | 15520851 |
| Molecular formula | C9H7NO2 |
| IUPAC name | 3-(cyanomethyl)benzoic acid |
| UNII (FDA) | J7V17Q435V |
| Molecular Weight | 161.16 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 161.047678466 |
| Monoisotopic Mass | 161.047678466 |
| Topological Polar Surface Area | 61.1 |
| Heavy Atom Count | 12 |
3-(cyanomethyl)benzoic acid; 5689-33-8; Benzoic acid, 3-(cyanomethyl)-; 3-Carboxyphenylacetonitrile; m-(Cyanomethyl)benzoic acid; Ketoprofen impurity H [EP]; Ketoprofen Impurity H; m-Toluic acid, alpha-cyano-; J7V17Q435V; UNII-J7V17Q435V; DTXSID00205412; M-TOLUIC ACID, .ALPHA.-CYANO-; KETOPROFEN IMPURITY H [EP IMPURITY]; KETOPROFEN IMPURITY H (EP IMPURITY); RefChem:92596; DTXCID00127903
| Reported hazard statements | H301 (33.3%), H302 (66.7%), H311 (33.3%), H312 (33.3%), H315 (66.7%), H319 (66.7%), H331 (33.3%), H332 (33.3%) |
|---|
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
3-(CYANOMETHYL)BENZOIC ACID · CAS 5689-33-8 · C9H7NO2. UNII J7V17Q435V.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(氰基甲基)苯甲酸