ChemicalBook > Product Catalog >Chemical Reagents >Organic reagents >Cyanide / nitrile >3-ACETYLBENZONITRILE
3-ACETYLBENZONITRILE
- CAS No.
- 6136-68-1
- Chemical Name:
- 3-ACETYLBENZONITRILE
- Synonyms
- 3-CYANOACETOPHENONE;M-CYANOACETOPHENONE;3-ACETYLBENZONITRILE;M-ACETYLBENZONITRILE;3'-Cyanoacetophenone;3-acethylbenzonitrile;Benzonitrile, 3-acetyl-;3-Acetylbenzonitrile97%;1-Cyano-3-acetylbenzene;1-Acetyl-3-cyanobenzene
- CBNumber:
- CB0424565
- Molecular Formula:
- C9H7NO
- Molecular Weight:
- 145.16
- MOL File:
- 6136-68-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/4/7 13:17:53
| 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) |
SAFETY
Risk and Safety Statements
| 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 | |||||||||
| 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 | |||||||||
| NFPA 704 |
|
3-ACETYLBENZONITRILE price More Price(2)
3-ACETYLBENZONITRILE Chemical Properties,Uses,Production
Chemical Properties
Pale yellowish-orange to brown powder
Uses
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.
Reactions
The reaction of 3-Acetylbenzonitrile and substituted benzaldehyde can be used for the synthesis of substituted 3-((E)-3-substituted phenylacryloyl)benzonitriles[1].
Synthesis Reference(s)
Tetrahedron Letters, 28, p. 2053, 1987 DOI: 10.1016/S0040-4039(00)96043-X
References
[1] D. KAMALAKKANNAN . Synthesis and assessment of substituent effect of some 3-((E)-3-substituted phenylacryloyl)benzonitriles[J]. Journal of Molecular Structure, 2022. DOI:10.1016/j.molstruc.2022.133218.
3-ACETYLBENZONITRILE Preparation Products And Raw materials
Raw materials
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M-CYANOACETOPHENONE
M-ACETYLBENZONITRILE
Benzonitrile, 3-acetyl-
3-CYANOACETOPHENONE
3-ACETYLBENZONITRILE
3-Acetylbenzonitrile97%
3-acetylbenzonitrile,98%
1-Acetyl-3-cyanobenzene
1-Cyano-3-acetylbenzene
3-Acetylbenzonitrile, 97% 5GR
3-ACETYLBENZONITRILE FOR SYNTHESIS
3'-cyanoacetophenone-3-Acetylbenzonitrile
3-Acetylbenzonitrile 97%
3-acethylbenzonitrile
3'-Cyanoacetophenone >
U-Ring-13C6]-3'-Hydroxyacetophenone
3'-Cyanoacetophenone
6136-68-1
CH3COC6H4CN
Building Blocks
C8 to C9
Cyanides/Nitriles
Nitrogen Compounds
Organic Building Blocks
Aromatic Nitriles
Boron, Nitrile, Thio,& TM-Cpds
Carbonyl Compounds