3-ACETYLBENZONITRILE

Uses

Product Name: 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
Formula Weight: 145.16
MOL File: 6136-68-1.mol

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3-ACETYLBENZONITRILE Property

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)

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Safety

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

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H301Toxic if swalloed

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: C1993
Product name: 3'-Cyanoacetophenone
Purity: >98.0%(GC)
Packaging: 5g
Price: $31
Updated: 2026/04/30

TCI Chemical

Product number: C1993
Product name: 3'-Cyanoacetophenone
Purity: >98.0%(GC)
Packaging: 25g
Price: $104
Updated: 2026/04/30

Matrix Scientific

Product number: 003069
Product name: 3'-Cyanoacetophenone
Packaging: 25.00g
Price: $38
Updated: 2026/05/18

Matrix Scientific

Product number: 003069
Product name: 3'-Cyanoacetophenone
Packaging: 100.00g
Price: $154
Updated: 2026/05/18

Matrix Scientific

Product number: 003069
Product name: 3'-Cyanoacetophenone
Packaging: 500.00g
Price: $766
Updated: 2026/05/18

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3-ACETYLBENZONITRILE Chemical Properties,Usage,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 (-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.

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 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.

3-ACETYLBENZONITRILE Preparation Products And Raw materials

Raw materials

Copper(I) Cyanide Argon ZINC Sodium dithionite Acetonitrile Acetic anhydride Sodium chloride COBALT(II) BROMIDE 3-Nitroacetophenone Trifluoroacetic acid Dodecane Sodium nitrite Diethyl ether Hydrochloric acid 3-Bromobenzonitrile Sodium bicarbonate Allyl chloride

Preparation Products

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3-ACETYLBENZONITRILE Suppliers

Americas 1 Austria 1 Belgium 4 Canada 3 China 182 Egypt 1 Europe 3 France 1 Germany 7 India 32 Japan 4 Slovakia 1 Switzerland 3 United Kingdom 24 United States 42 Global 309

Shanghai Famo Bio-chemical Technology Company Ltd.

Tel: 021-36680027 15821745250
Email: fengqiang@famobiotech.com
Country: China
ProdList: 486
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Shanghai Jinsheng Pharmaceutical Co., Ltd.

Tel: 1365-13651960330 13651960330
Email: xiangfeixia@jspharmatech.com
Country: China
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J & K SCIENTIFIC LTD.

Tel: 18210857532; 18210857532
Fax: 86-10-82849933
Email: jkinfo@jkchemical.com
Country: China
ProdList: 96815
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Meryer (Shanghai) Chemical Technology Co., Ltd.

Tel: 4006356688 18621169109
Fax: 86-21-61259102
Email: market03@meryer.com
Country: China
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Alfa Aesar

Tel: 400-6106006
Fax: 021-67582001/03/05
Email: saleschina@alfa-asia.com
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TCI (Shanghai) Development Co., Ltd.

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Energy Chemical

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Fax: 021-58436166
Email: sales8178@energy-chemical.com
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Wuhan Chemwish Technology Co., Ltd

Tel: 86-027-67849912
Fax: 86-027-87531808
Email: sales@chemwish.com
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Capot Chemical Co., Ltd

Tel: +86 (0) 571 85 58 67 18
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Beijing Ouhe Technology Co., Ltd

Tel: 13552068683 13522913783
Fax: +86-10-82967029
Email: 2355560935@qq.com
Country: China
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View Lastest Price from 3-ACETYLBENZONITRILE manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 3-Acetylbenzonitrile 6136-68-1
Price: US $2.20-8.80/kg
Min. Order: 1kg
Purity: 99%min
Supply Ability: 1000kg
Release date: 2025-06-13

Hebei Chuanghai Biotechnology Co., Ltd

Product: 3-ACETYLBENZONITRILE 6136-68-1
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20 mt
Release date: 2024-12-10

R&D Scientific Inc.

Product: 3-Acetylbenzonitrile 6136-68-1
Price: US $800.00/g
Min. Order: 1g
Purity: 98
Supply Ability: 5000 Kg
Release date: 2025-04-07

6136-68-1, 3-ACETYLBENZONITRILERelated Search:

1,4-DIAMINO-2,3-DICYANO-9,10-ANTHRAQUINONE 3-(2-Bromoacetyl)benzonitrile 6-Cyano-1-indanone 2,3-dihydro-1-oxo-1H-indene-4-carbonitrile 3-ACETYLBENZONITRILE 4-Acetylbenzonitrile 2-ACETYLBENZONITRILE 4-ACETYLBENZONITRILE,P-ACETYLBENZONITRILE Benzonitrile Acetophenone 3'-CYANO-2-PHENYLACETOPHENONE 3-CYANO-4'-METHOXYBENZOPHENONE 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE 2-(2-BROMOPHENYL)-3'-CYANOACETOPHENONE 3-CYANO-3'-IODOBENZOPHENONE 3-CYANO-4'-IODOBENZOPHENONE 7-(3-CYANOPHENYL)-7-OXOHEPTANENITRILE 4-(3-CYANOPHENYL)-4-OXOBUTYRONITRILE

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 &gt

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