4-(Bromomethyl)-3-fluorobenzonitrile

Basic Information

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CAS Number

105942-09-4

Molecular Formula

C8H5BrFN

Molecular Weight

214.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

75.0 to 79.0 deg-C

Boiling Point

276.4℃ at 760 mmHg

Density

1.59

Flash Point

121℃

Refractive Index

1.527

SMILES

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

InChI

InChI=1S/C8H5BrFN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2

InChIKey

ZESZAIOGACKOMB-UHFFFAOYSA-N

LogP

2.59228

Complexity

174

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

DTXSID30382462
ZESZAIOGACKOMB-UHFFFAOYSA-N
F2163-0116
B3204
MFCD07368341
EN300-24736
SY013095
AM20020160
GS-3651
CS-W001261
Q-103457
4-(Bromomethyl)-3-fluorobenzonitrile
SCHEMBL309991
4-cyano-2-fluoro-benzylbromide
BCP26858
AC-9221
105942-09-4
4-(bromo methyl)-3-fluorobenzonitrile
4-Cyano-2-fluorobenzyl Bromide
2-fluoro-4-cyanobenzyl bromide
4-bromomethyl-3-fluorobenzonitrile
4-cyano-2-fluoro benzyl bromide
FT-0642610
4-bromomethyl-3-fluoro-benzonitrile
BENZONITRILE, 4-(BROMOMETHYL)-3-FLUORO-
2-Fluoro-4-cyanobenzylbromide
AKOS001261186
3-fluoro-4-(bromomethyl)benzonitrile
4-(Bromomethyl)-3-fluoroben
4-(bromomethyl)-3-fluoro-benzonitrile
Z199533566

MDL Number

MFCD07368341

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4)?

4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4) is a crystalline compound with a molecular weight of approximately 216.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and chloroform. This compound is chemically reactive, particularly towards nucleophiles and reducing agents. It is often used in organic synthesis due to its bromomethyl group and fluorine substituent.

How is 4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4) typically synthesized?

4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4) is typically synthesized through a multistep process involving the bromination of 3-fluorobenzonitrile followed by alkylation. The reaction is often catalyzed by a Lewis acid like aluminum bromide (AlBr₃) and can be carried out in a solvent such as chloroform. The yield and selectivity are influenced by the reaction conditions and the choice of catalyst.

What industries use 4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4)?

4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4) is primarily used in pharmaceutical and polymer industries. It serves as an intermediate in the synthesis of various drugs and polymers. Additionally, it can be used in the development of sensors and semiconductors due to its chemical reactivity and functional groups.

What precautions should be taken when handling 4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4)?

When handling 4-(Bromomethyl)-3-fluorobenzonitrile (CAS: 105942-09-4), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate chemicals and methods described in the safety data sheet (SDS). Always refer to the SDS for detailed safety information and emergency procedures.