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3-ACETYLBENZONITRILE

3-ACETYLBENZONITRILE Structure
CAS No.
6136-68-1
Chemical Name:
3-ACETYLBENZONITRILE
Synonyms
3-CYANOACETOPHENONE;M-CYANOACETOPHENONE;3-ACETYLBENZONITRILE;M-ACETYLBENZONITRILE;3'-CYANOACETOPHENONE;3'-Cyanoacetophenone;3-acethylbenzonitrile;Benzonitrile, 3-acetyl-;3-Acetylbenzonitrile97%;1-Cyano-3-acetylbenzene
CBNumber:
CB0424565
Molecular Formula:
C9H7NO
Molecular Weight:
145.16
MOL File:
6136-68-1.mol
MSDS File:
SDS
Modify Date:
2024/4/24 17:21:39

3-ACETYLBENZONITRILE 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)

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
1
2 0

3-ACETYLBENZONITRILE price More Price(2)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) C1993 3'-Cyanoacetophenone min. 98.0 % 6136-68-1 5G ₹4700 2022-05-26 Buy
TCI Chemicals (India) C1993 3'-Cyanoacetophenone min. 98.0 % 6136-68-1 25G ₹8800 2022-05-26 Buy
Product number Packaging Price Buy
C1993 5G ₹4700 Buy
C1993 25G ₹8800 Buy

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.

Synthesis Reference(s)

Tetrahedron Letters, 28, p. 2053, 1987 DOI: 10.1016/S0040-4039(00)96043-X

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M-CYANOACETOPHENONE M-ACETYLBENZONITRILE Benzonitrile, 3-acetyl- 3'-CYANOACETOPHENONE 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