ChemicalBook > CAS DataBase List > 3-ACETYLBENZONITRILE

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

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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: $35
Updated: 2025/07/31

TCI Chemical

Product number: C1993
Product name: 3'-Cyanoacetophenone
Purity: >98.0%(GC)
Packaging: 25g
Price: $116
Updated: 2025/07/31

TRC

Product number: C955000
Product name: m-Cyanoacetophenone
Packaging: 1g
Price: $50
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FA33577
Product name: 3-Acetylbenzonitrile
Packaging: 10g
Price: $50
Updated: 2021/12/16

Matrix Scientific

Product number: 003069
Product name: 3'-Cyanoacetophenone
Purity: 98%
Packaging: 25g
Price: $68
Updated: 2021/12/16

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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.

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

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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