2-Chloro-5-fluorobenzyl Bromide

Basic Information

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CAS Number

81778-09-8

Molecular Formula

C7H5BrClF

Molecular Weight

223.47 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

65-66 °C/2 mmHg

Density

1.654 g/mL at 25 °C

Refractive Index

n20/D 1.566(lit.)

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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C1=CC(=C(C=C1F)CBr)Cl

InChI

InChI=1S/C7H5BrClF/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2

InChIKey

AUVLFQDKJFSFIX-UHFFFAOYSA-N

LogP

3.3740000000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

110

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Lachrymatory

Synonyms & References

English

FT-0655943
2-(bromomethyl)-1-chloranyl-4-fluoranyl-benzene
Methyl4-iodo-3-indolecarboxylate
AKOS005258556
2-chloro-5-fluoro-benzylbromide
a-Bromo-2-chloro-5-fluorotoluene
2-chloro-5-fluoro-benzyl bromide
J-508825
CK2034
2-Bromomethyl-1-chloro-4-fluoro-benzene
AC-14714
NS00120247
2-Chloro-5-fluorobenzyl bromide, 99%
2-Chloro-5-fluorobenzyl bromide
AMY2652
MFCD01631419
1-(Bromomethyl)-2-chloro-5-fluorobenzene
AUVLFQDKJFSFIX-UHFFFAOYSA-N
SCHEMBL189219
C2359
1-Chloro-2-(bromomethyl)-4-fluorobenzene
81778-09-8
DTXSID10378601
A840194
EN300-160264
PS-10026
CS-0046221
2-(bromomethyl)-1-chloro-4-fluorobenzene
2-(Bromomethyl)-1-chloro-4-fluorobenzene

MDL Number

MFCD01631419

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2-Chloro-5-fluorobenzyl Bromide (CAS: 81778-09-8)?

2-Chloro-5-fluorobenzyl Bromide (CAS: 81778-09-8) is a crystalline solid with a molecular weight of approximately 242.02 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is highly reactive, particularly towards nucleophiles due to the presence of the bromide and the aromatic ring. It is prone to substitution reactions and can be used in various chemical transformations.

How is 2-Chloro-5-fluorobenzyl Bromide (CAS: 81778-09-8) typically synthesized?

2-Chloro-5-fluorobenzyl Bromide is typically synthesized through the reaction of 2-chloro-5-fluorobenzyl alcohol with phosphorus tribromide in the presence of a suitable base like potassium hydroxide. The reaction is carried out in an inert solvent such as diethyl ether. This method provides good yield and selectivity, making it a common industrial synthesis route.

What industries use 2-Chloro-5-fluorobenzyl Bromide (CAS: 81778-09-8)?

2-Chloro-5-fluorobenzyl Bromide (CAS: 81778-09-8) is used in the pharmaceutical industry for the synthesis of various drug compounds due to its reactivity and functionality. It is also utilized in the polymer industry for functionalization of polymers and in the development of sensors and semiconductors for electronic applications.

What precautions should be taken when handling 2-Chloro-5-fluorobenzyl Bromide (CAS: 81778-09-8)?

When handling 2-Chloro-5-fluorobenzyl Bromide (CAS: 81778-09-8), it is crucial to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.