3-Acetylbenzonitrile , 98% , 6136-68-1
Synonym(s):
3′-Cyanoacetophenone
CAS NO.：6136-68-1
Empirical Formula: C9H7NO
Molecular Weight: 145.16
MDL number: MFCD00001806
EINECS: 228-110-6
| Pack Size | Price | Stock | Quantity |
| 1G | RMB24.00 | In Stock |
|
| 5G | RMB88.00 | In Stock |
|
| 25G | RMB331.20 | In Stock |
|
| 100G | RMB1208.80 | In Stock |
|
| others | Enquire |
PRODUCT Properties
| Melting point: | 98-100 °C (lit.) |
| Boiling point: | 120 °C (5 mmHg) |
| Density | 1.1555 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| Flash point: | 120°C/5mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 4g/l |
| form | Powder |
| color | Pale yellow-orange to brown |
| Water Solubility | Insoluble in water. |
| BRN | 2079629 |
| InChI | InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3 |
| InChIKey | SBCFGFDAZCTSRH-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC(C(C)=O)=C1 |
| CAS DataBase Reference | 6136-68-1(CAS DataBase Reference) |
Description and Uses
3-Acetylbenzonitrile is a pharmaceutical intermediate compound. As its molecular structure contains both cyano (-CN) and acetyl (-COCH₃) functional groups, it is frequently used as a core building block for the synthesis of various bioactive heterocyclic compounds, such as sodium channel blockers. Furthermore, it can also be used in the preparation of OLED materials.
Preparation of (q2-2-Acetyl-4-cyanophenyl)tetra- carbonylmanganese by Reaction of 3-Acetylbenzonitrile with Benzylpentacarbonylmanganese. Four aromatic amidoximes were synthesized by reacting hydroxylamine with 1,3 -dicyanobenzene, 1,4- dicyanobenzene, 3-acetylbenzonitrile, and 4-acetylbenzonitrile. Darzens condensation of 3-acetylbenzonitrile provided aldehyde.
Safety
| Symbol(GHS) |   GHS06,GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319-H335-H301-H302-H312-H331 |
| Precautionary statements | P304+P340-P501a-P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P261-P280-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Harmful/Irritant |
| TSCA | T |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
