4-Chloro-3-formylbenzonitrile

Basic Information

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CAS Number

105191-41-1

Molecular Formula

C8H4ClNO

Molecular Weight

165.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1C#N)C=O)Cl

InChI

InChI=1S/C8H4ClNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H

InChIKey

JVRHVSUFKIQVFN-UHFFFAOYSA-N

LogP

2.02418

Complexity

196

Synonyms & References

English

Benzonitrile, 4-chloro-3-formyl-
2-(4-NITRO-PHENYLAMINO)-BENZOICACID
BENZONITRILE,4-CHLORO-3-FORMYL
A801161
FT-0645711
MFCD11035756
DTXSID20544012
AKOS015850050
4-chloro-3-formylbenzonitrile
105191-41-1
W-204549
CS-W022146
4-CHLORO-3-FORMYL-BENZONITRILE
AM20020149
4-chloro-3-formylbenzenecarbonitrile
2-Chloro-5-cyanobenzaldehyde
SY046591
GS-4329
JVRHVSUFKIQVFN-UHFFFAOYSA-N
CL8269
SCHEMBL1798281
4-Chloro-3-formylbenzonitrile
4-CHLORO-3-FORMYLBENZENECARBONITRILE
4-Chloro-3-Formyl-Benzonitrile
PubChem16870
KSC494G3D
Benzonitrile,4-chloro-3-formyl-
RP02437
AB0034567
4-

MDL Number

MFCD11035756

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1)?

4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1) is a crystalline solid with a molecular weight of approximately 178.56 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is relatively stable but can react with bases to form benzonitrile. The compound shows low reactivity under normal conditions but can undergo nucleophilic substitution reactions under certain conditions.

How is 4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1) typically synthesized?

4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1) can be synthesized via the reaction of 4-chloro-3-formylbenzaldehyde with hydrogen cyanide. This process often requires a catalyst such as sodium ethoxide to enhance the nucleophilic attack of the cyanide ion on the electrophilic carbon atom.

What industries use 4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1)?

4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds. It also finds applications in the production of semiconductors and as a precursor in polymer synthesis and sensor technology.

What precautions should be taken when handling 4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1)?

When handling 4-Chloro-3-formylbenzonitrile (CAS: 105191-41-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be handled using neutralizing agents, and the area should be thoroughly cleaned. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.