m-Cyanoacetophenone

Basic Information

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CAS Number

6136-68-1

Molecular Formula

C9H7NO

Molecular Weight

145.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

97.0 to 101.0 deg-C

Boiling Point

267.3℃ at 760 mmHg

Density

1.1555 (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

120℃/5mm

Solubility

4g/l

Refractive Index

1.4500 (estimate)

SMILES

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CC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3

InChIKey

SBCFGFDAZCTSRH-UHFFFAOYSA-N

LogP

1.76088

Complexity

201

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

UNII-TSJ72034P9
CS-W004403
DTXSID50210273
EN300-37505
SCHEMBL39137
CHEMBL4544662
Q27290250
FT-0615550
InChI=1/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H
NSC-210360
TSJ72034P9
m-acetylbenzonitrile
3-CN-C6H4-COCH3
NSC210360
NSC 210360
Z381541056
3-Acetylbenzonitrile
C1993
A21000
AC-26105
W-111725
Benzonitrile, 3-acetyl-
AM1099
6136-68-1
AKOS007930840
3-acetyl-benzonitrile
NS00034659
3-CYANOPHENYL METHYL KETONE
3-acetyl benzonitrile
3-Acetylbenzonitrile, 97%
CHEBI:194596

MDL Number

MFCD00001806

Customs Code

2926909090

FAQ

What are the physical and chemical properties of m-Cyanoacetophenone (CAS: 6136-68-1)?

m-Cyanoacetophenone (CAS: 6136-68-1) is a crystalline solid with a molecular weight of approximately 142.12 g/mol. It has a melting point of 60-62°C and is slightly soluble in water but more soluble in organic solvents such as ethanol, acetone, and dichloromethane. It reacts readily with nucleophiles due to the presence of the cyano group, showing good reactivity in chemical synthesis.

How is m-Cyanoacetophenone (CAS: 6136-68-1) typically synthesized?

m-Cyanoacetophenone (CAS: 6136-68-1) is commonly synthesized via the reaction of acetophenone and carbon monoxide in the presence of a metal catalyst such as rhodium or palladium under pressure. The yield is usually high, and the reaction is selective, producing the desired product with good purity.

What industries use m-Cyanoacetophenone (CAS: 6136-68-1)?

m-Cyanoacetophenone (CAS: 6136-68-1) is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the production of polymers and semiconductors. It also finds applications in the development of chemical sensors and as a reagent in various analytical techniques.

What precautions should be taken when handling m-Cyanoacetophenone (CAS: 6136-68-1)?

When handling m-Cyanoacetophenone (CAS: 6136-68-1), it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, it should be handled using appropriate spill control measures, and care should be taken to avoid inhalation or skin contact. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.