3-Bromo-4-fluorobenzonitrile

Basic Information

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CAS Number

79630-23-2

Molecular Formula

C7H3BrFN

Molecular Weight

200.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

55.0 to 58.0 deg-C

Boiling Point

134-136°C 33mm

Density

1.7286 (rough estimate)

Flash Point

>110 ºC

Refractive Index

1.5320 (estimate)

SMILES

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C1=CC(=C(C=C1C#N)Br)F

InChI

InChI=1S/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H

InChIKey

JKCYKISVUIVZCS-UHFFFAOYSA-N

LogP

2.45988

Complexity

162

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

79630-23-2
Benzonitrile, 3-bromo-4-fluoro-
DTXSID00229815
JKCYKISVUIVZCS-UHFFFAOYSA-
4-Cyano-1-fluoro-2-bromobenzene
Benzonitrile, 3-?bromo-?4-?fluoro-
PS-8222
InChI=1/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
MFCD00055432
A9921
SCHEMBL283614
NS00062302
EN300-120876
Z57900354
3-Bromo-4-fluorobenzonitrile, 97%
B1965
CS-0007567
3-bromo-4-fluoro-benzonitrile
EINECS 279-200-7
3-Bromo-4-flurobenzonitrile
J-511926
AM20060068
AKOS005255011
3-Bromo-4-fluorobenzonitrile
3-bromo,4-fluorobenzonitrile
FT-0615155
4-FLUORO-3-BROMOBENZONITRILE
AC-2775
3-bromo-4-fluorobenzenecarbonitrile
4-fluoro-3-bromobenzonitrile
5-Cyano-2-fluorobromobenzene

MDL Number

MFCD00055432

Customs Code

2926909090

FAQ

What is 3-Bromo-4-fluorobenzonitrile (CAS: 79630-23-2)?

3-Bromo-4-fluorobenzonitrile is an organic compound with the chemical formula C7H5BrFN2. It is a colorless solid that is used in various industrial and research applications. It has a pungent odor and is slightly soluble in water.

What are the main uses of 3-Bromo-4-fluorobenzonitrile (CAS: 79630-23-2)?

3-Bromo-4-fluorobenzonitrile is primarily used in the synthesis of pharmaceuticals, dyes, and other organic compounds. It serves as a building block in various chemical reactions and is also used in the preparation of herbicides and insecticides.

Is 3-Bromo-4-fluorobenzonitrile (CAS: 79630-23-2) safe?

3-Bromo-4-fluorobenzonitrile is considered hazardous and requires appropriate handling precautions. It is toxic by ingestion and inhalation. Users should wear personal protective equipment, such as gloves, goggles, and a respirator, and ensure proper ventilation. Storage and disposal should comply with local regulations.

How should 3-Bromo-4-fluorobenzonitrile (CAS: 79630-23-2) be stored?

3-Bromo-4-fluorobenzonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Storage temperature should not exceed 25°C, and the container should be checked regularly for any signs of leakage or degradation.