6136-68-1
3-acetylbenzonitrile
CAS: 6136-68-1
Molecular Formula: C9H7NO
6136-68-1 - Names and Identifiers
| 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- |
6136-68-1 - Physico-chemical Properties
| 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 |
6136-68-1 - Risk and Safety
| 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 |
6136-68-1 - Introduction
Insoluble in water, soluble in ethanol and ether.
Last Update：2022-10-16 17:27:07
6136-68-1 - Reference Information
| 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. |
Last Update：2024-04-09 15:16:51
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