Name | 3-acetylbenzonitrile |
Synonyms | M-CYANOACETOPHENONE 3-CYANOACETOPHENONE 3-ACETYLBENZONITRILE 3'-CYANOACETOPHENONE 3-acetylbenzonitrile M-ACETYLBENZONITRILE Benzonitrile, 3-acetyl- (2Z)-3-[2-(4-chlorophenyl)ethyl]-2-[(3-chlorophenyl)imino]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide |
CAS | 6136-68-1 |
EINECS | 228-110-6 |
InChI | InChI=1/C26H23Cl2N3O2S/c1-17-4-2-6-21(14-17)29-25(33)23-16-24(32)31(13-12-18-8-10-19(27)11-9-18)26(34-23)30-22-7-3-5-20(28)15-22/h2-11,14-15,23H,12-13,16H2,1H3,(H,29,33)/b30-26- |
Molecular Formula | C9H7NO |
Molar Mass | 145.16 |
Density | 1.1555 (rough estimate) |
Melting Point | 98-100 °C (lit.) |
Boling Point | 120 °C (5 mmHg) |
Flash Point | 120°C/5mm |
Water Solubility | Insoluble in water. |
Solubility | 4g/l |
Appearance | Powder |
Color | Pale yellow-orange to brown |
BRN | 2079629 |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.4500 (estimate) |
MDL | MFCD00001806 |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
UN IDs | 3439 |
WGK Germany | 3 |
TSCA | T |
HS Code | 29269090 |
Hazard Note | Harmful/Irritant |
Hazard Class | 6.1 |
Packing Group | III |
Use | 3-acetylbenzonitrile can be used to prepare 3-(hydroxyacetyl) benzonitrile and 3-(1-(3-(4-(pyridin-3-yl) pyrimidin-2-amine)-4-methylphenyl) ethyl) benzonitrile. |