Name | m-(1-cyanoethyl)benzoic acid |
Synonyms | CEBA 3-(1-Cyanoethyl)benzoic Cyano Ethyl benzoic acid 3-(1-cyanoethyl)-benzoicaci 3-(1-Cyanoethyl)benzolcacid m-(1-cyanoethyl)benzoic acid 3-(1-CYANOETHYL)BENZOIC ACID 3-(1-cyanoethyl)benzoic acid 3-(1-Cyanoethyl)benzoophenone 3-(1-Cyanoethyl)-benzoic acid Benzoic acid,3-(1-cyanoethyl)- |
CAS | 5537-71-3 |
EINECS | 226-897-0 |
InChI | InChI=1/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13) |
Molecular Formula | C10H9NO2 |
Molar Mass | 175.18 |
Density | 1.204±0.06 g/cm3(Predicted) |
Melting Point | 145-148 °C (lit.) |
Boling Point | 355.8±25.0 °C(Predicted) |
Flash Point | 169°C |
Solubility | DMSO (Slightly), Methanol (Slightly) |
Vapor Presure | 1.12E-05mmHg at 25°C |
Appearance | Solid |
Color | White to Off-White |
pKa | 3.96±0.10(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.563 |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36/37/38 - |
WGK Germany | 3 |
biological activity | 3-(1-Cyanoethyl)benzoic acid (DF2107Y) is a kind of benzoic acid, it can be used to screen for cobalt-containing nitrile hydratase (NHases). |
Use | used as intermediate of antipyretic analgesic ketoprofen |