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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-acethylbenzonitrile;Benzonitrile, 3-acetyl-;3-Acetylbenzonitrile97%;1-Cyano-3-acetylbenzene;1-Acetyl-3-cyanobenzene
CBNumber:
CB0424565
Molecular Formula:
C9H7NO
Molecular Weight:
145.16
MDL Number:
MFCD00001806
MOL File:
6136-68-1.mol
MSDS File:
SDS
Last updated:2026-06-04 16:00:12
Product description Number Pack Size Price
3'-Cyanoacetophenone >98.0%(GC) C1993 5g $31
3'-Cyanoacetophenone >98.0%(GC) C1993 25g $104
3-Acetylbenzonitrile Asreported 260082 5g $347
3-Acetylbenzonitrile Asreported 260082 10g $475
3-Acetylbenzonitrile Asreported 260082 25g $658
More product size

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
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
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 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704
1
2 0

3-ACETYLBENZONITRILE price More Price(72)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemical C1993 3'-Cyanoacetophenone >98.0%(GC) 6136-68-1 5g $31 2026-04-30 Buy
TCI Chemical C1993 3'-Cyanoacetophenone >98.0%(GC) 6136-68-1 25g $104 2026-04-30 Buy
Usbiological 260082 3-Acetylbenzonitrile Asreported 6136-68-1 5g $347 2026-06-03 Buy
Usbiological 260082 3-Acetylbenzonitrile Asreported 6136-68-1 10g $475 2026-06-03 Buy
Usbiological 260082 3-Acetylbenzonitrile Asreported 6136-68-1 25g $658 2026-06-03 Buy
Product number Packaging Price Buy
C1993 5g $31 Buy
C1993 25g $104 Buy
260082 5g $347 Buy
260082 10g $475 Buy
260082 25g $658 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.

Description

3-Acetylbenzonitrile is a pharmaceutical intermediate compound. As its molecular structure contains both cyano (-CN) and acetyl (-COCH?) 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.

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

Synthesis

The preparation of 3-acetylbenzonitrile is usually achieved by the following steps: starting from benzoic acid, reacting with acetyl chloride to produce 3-acetylbenzoic acid. 3-acetylbenzoic acid is converted into 3-acetylbenzonitrile by decarboxylation.

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.

Global( 310)Suppliers
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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 2026-04-17 3-Acetylbenzonitrile
6136-68-1
$2.20-8.80 1kg 99%min 1000kg ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
3-ACETYLBENZONITRILE pictures 2026-03-20 3-ACETYLBENZONITRILE
6136-68-1
1KG 99% 20 mt Hebei Chuanghai Biotechnology Co., Ltd
3-Acetylbenzonitrile pictures 2025-04-08 3-Acetylbenzonitrile
6136-68-1
$800.00 1g 98 5000 Kg R&D Scientific Inc.
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
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