2-Chloro-3-fluorobenzonitrile

Basic Information

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CAS Number

874781-08-5

Molecular Formula

C7H3ClFN

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

55-56℃

Boiling Point

232.7℃ at 760 mmHg

SMILES

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N#CC1=CC=CC(F)=C1Cl

InChI

InChI=1S/C7H3ClFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H

InChIKey

ROXFZJBRIXTCPI-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

162

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-CHLORO-3-FLUOROBENZONITRILE
3-Fluoro-2-chlorobenzonitrile
2-chloro-3-fluoro-benzonitrile
Benzonitrile, 2-chloro-3-fluoro-
PubChem3554
Benzonitrile,2-chloro-3-fluoro-
ROXFZJBRIXTCPI-UHFFFAOYSA-N
WT076
2-chloro-3-fluorobenzenecarbonitrile
SBB064499
AM62123
AS01638
CM13000
EN001716
2-Chloro-3-fluorobenzonitr
2-Chloro-3-fluorobenzonitrile (ACI)

MDL Number

MFCD03407966

FAQ

What is 2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5)?

2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5) is an organic compound with the molecular formula C7H4ClFN. It has a yellow or orange crystalline appearance and is used in various industrial and research applications. The compound is known for its stability and reactivity in chemical synthesis.

What are the main uses of 2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5)?

2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5) is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also utilized in the production of dyes and other organic compounds. In research, it serves as a building block for custom chemical synthesis projects.

Is 2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5) safe?

2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5) is generally considered safe when handled with proper precautions. However, it is flammable and may cause eye and skin irritation. It is important to use protective equipment, such as gloves and goggles, and to work in a well-ventilated area. Storage should be in a cool, dry place away from direct sunlight and heat sources.

How should 2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5) be stored?

2-Chloro-3-fluorobenzonitrile (CAS: 874781-08-5) should be stored in a tightly sealed container in a cool, dry place. It is important to avoid exposure to temperatures above 30°C (86°F) and to keep it away from direct sunlight and heat sources. Store it in a well-ventilated area to prevent the buildup of flammable vapors.