6627-91-4 Benzoic acid, 2-(cyanomethyl)- 2-(Cyanomethyl)benzoic acid 3-09-00-04267 (Beilstein Handbook Reference) BRN 0472769 o-Carboxyphenylacetonitrile alpha-Cyano-o-toluic acid EINECS 229-602-3 o-Toluic acid, alpha-cyano- CAS 6627-91-4
| CAS No. | 6627-91-4 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
6627-91-4 Benzoic acid, 2-(cyanomethyl)- 2-(Cyanomethyl)benzoic acid 3-09-00-04267 (Beilstein Handbook Reference) BRN 0472769 o-Carboxyphenylacetonitrile alpha-Cyano-o-toluic acid EINECS 229-602-3 o-Toluic acid, alpha-cyano- (CAS 6627-91-4) is a high-purity analytical reference standard with the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol.
The molecular framework of 6627-91-4 Benzoic acid, 2-(cyanomethyl)- 2-(Cyanomethyl)benzoic acid 3-09-00-04267 (Beilstein Handbook Reference) BRN 0472769 o-Carboxyphenylacetonitrile alpha-Cyano-o-toluic acid EINECS 229-602-3 o-Toluic acid, alpha-cyano- (C9H13NO2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.21 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 1 |
Related Benzoic Standards
- 25081-39-4 Benzoic acid, 3,5-dimethyl-, methyl ester Methyl 3,5-dimethylbenzoate (CAS 25081-39-4)
- Benzoic Acid Impurity 10 (CAS 455-24-3)
- 4892-02-8 Benzoic acid, o-mercapto-, methyl ester Benzoic acid, 2-mercapto-, methyl ester 4-10-00-00280 (Beilstein Handbook Reference) AI3-26181 BRN 0956859 2-(Methoxycarbonyl)thiophenol Methyl o-mercaptobenzoate Methyl 2-mercaptobenzoate Methyl thiosalicylate Methyl-o-mercaptobenzoate NSC 30156 USAF MA-15 (CAS 4892-02-8)
- Benzoic acid, 4-(1-methylethenyl)-, methyl ester (CAS 26581-23-7)
- Benzoic acid, 4-ethenyl-2-methyl-, methyl ester (CAS 943847-34-5)
- 536-40-3 Benzoic acid, p-chloro-, hydrazide (8CI) Benzoic acid, 4-chloro-, hydrazide (9CI) 4-Chlorobenzohydrazide p-Chlorobenzhydrazide 4-Chlorobenzhydrazide p-Chlorobenzohydrazide p-Chlorobenzoic acid, hydrazide 4-Chlorobenzoic acid, hydrazide p-Chlorobenzoic hydrazide p-Chlorobenzoyl hydrazide 4-Chlorobenzoyl hydrazide p-Chlorobenzoylhydrazine 4-Chlorobenzoylhydrazine EINECS 208-632-0 NSC 54990 (CAS 536-40-3)
- Benzoic Acid Diazonium Impurity (CAS 17333-88-9)
- 632-46-2 Benzoic acid, 2,6-dimethyl- 2,6-Dimethylbenzoic acid 4-09-00-01798 (Beilstein Handbook Reference) BRN 1863791 EINECS 211-177-0 (CAS 632-46-2)
Recommended Standards
- 2-(4-CYANOPHENYL)ACETIC ACID 4-CYANO-BENZENEACETIC ACID 4-Cyanophenylacetic acid 5462-71-5 AS06094 BENZENEACETIC ACID, 4-CYANO- P-CYANOPHENYLACETIC ACID (CAS 5462-71-5)
- 2-((Dimethylamino)methylene)cyclohexane-1,3-dione 3226AC 85302-07-4 C9H13NO2 (CAS 85302-07-4)
- 525-76-8 Y938TMX1D8 Acetanthranil 4H-3,1-Benzoxazin-4-one, 2-methyl- 2-Methyl-4H-3,1-benzoxazin-4-one EINECS 208-381-7 2-Methyl-4-oxo-4H-3,1-benzoxazine NSC 10119 UNII-Y938TMX1D8 (CAS 525-76-8)
- 898759-18-7 3,3-Dimethyl-1-(1,3-oxazol-2-yl)butan-1-one DTXSID70642057 (CAS 898759-18-7)
- 4-PREGNEN-17, 20α, 21-TRIOL-3, 11-DIONE (CAS 566-38-1)
- 7-Bromo-4-chloro-5-azaindole-3-carboaldehyde (CAS 1352397-70-6)
- 4-Chloro-6-hydroxy-2,3-dihydro-1H-inden-1-one (CAS 1199782-98-3)
- 2-Phenyl-4-(trifluoromethyl)pyrimidine (CAS 149771-19-7)
- 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 132360-04-4)
- 1-(Sec-butyl)-4-chloro-6-methyl-1h-pyrazolo[3,4-d]pyrimidine (CAS 1250573-81-9)
- N-Phenylnicotinamide (CAS 1752-96-1)
- 2-Acetamido-N1-(4-chlorobenzyl)-N3-(4-isopropylphenyl)malonamide (CAS 866039-24-9)
- 6-Fluoroimidazo[1,2-b]pyridazine (CAS 113501-27-2)
- Experimental Allergic Encephalitogenic Peptide (CAS 29705-92-8)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com