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ChemicalBook >> CAS DataBase List >>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'-Cyanoacetophenone;3-acethylbenzonitrile;Benzonitrile, 3-acetyl-;3-Acetylbenzonitrile97%;1-Cyano-3-acetylbenzene
CBNumber:
CB0424565
Molecular Formula:
C9H7NO
Molecular Weight:
145.16
MDL Number:
MFCD00001806
MOL File:
6136-68-1.mol
MSDS File:
SDS
Last updated:2024-04-24 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)
FDA UNII TSJ72034P9

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
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(31)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemical C1993 3'-Cyanoacetophenone >98.0%(GC) 6136-68-1 5g $35 2024-03-01 Buy
TCI Chemical C1993 3'-Cyanoacetophenone >98.0%(GC) 6136-68-1 25g $116 2024-03-01 Buy
Alfa Aesar A10841 3-Acetylbenzonitrile, 97+% 6136-68-1 5g $63.65 2024-03-01 Buy
Alfa Aesar A10841 3-Acetylbenzonitrile, 97+% 6136-68-1 25g $223.65 2024-03-01 Buy
Alfa Aesar A10841 3-Acetylbenzonitrile, 97+% 6136-68-1 100g $788 2021-12-16 Buy
Product number Packaging Price Buy
C1993 5g $35 Buy
C1993 25g $116 Buy
A10841 5g $63.65 Buy
A10841 25g $223.65 Buy
A10841 100g $788 Buy

3-ACETYLBENZONITRILE Chemical Properties,Uses,Production

Uses

3-Acetylbenzonitrile has been used in the preparation of 3-(hydroxyacetyl)benzonitrile, and 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile.

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.

Uses

3-Acetylbenzonitrile has been used in the preparation of:

  • 3-(hydroxyacetyl)benzonitrile
  • 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile

Definition

ChEBI: 3-Acetylbenzonitrile is an aromatic ketone.

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 of substituted 3-((E)?3-substituted phenylacryloyl)benzonitriles

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.

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View Lastest Price from 3-ACETYLBENZONITRILE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-ACETYLBENZONITRILE pictures 2024-11-11 3-ACETYLBENZONITRILE
6136-68-1
 US $0.00-0.00 / kg 1kg 98% 1 ton Nanjing Fred Technology Co., Ltd
3'-Cyanoacetophenone pictures 2023-01-31 3'-Cyanoacetophenone
6136-68-1
 US $0.00 / Kg/Drum 1Kg/Drum 99% 5000KG Hebei Mojin Biotechnology Co., Ltd
3-ACETYLBENZONITRILE pictures 2022-12-08 3-ACETYLBENZONITRILE
6136-68-1
 US $0.00-0.00 / KG 1KG 99% 20 mt Hebei Weibang Biotechnology Co., Ltd
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