1-(Bromomethyl)-2,3-difluorobenzene

Basic Information

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CAS Number

113211-94-2

Molecular Formula

C7H5BrF2

Molecular Weight

207.02 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

190.5 °C at 760 mmHg

Refractive Index

n20/D 1.528(lit.)

SMILES

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C1=CC(=C(C(=C1)F)F)CBr

InChI

InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2

InChIKey

FTBSGSZZESQDBM-UHFFFAOYSA-N

LogP

2.859700000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

108

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

benzene, 1-(bromomethyl)-2,3-difluoro-
2,3-Difluorobenzyl bromide, 98%
a-bromo-2,3-difluorotoluene
1-(Bromomethyl)-2,3-difluoro-benzene
BCP24607
2,3-difluoro-benzyl bromide
2,3-Difluorobenzylbromide
MFCD00042488
DTXSID20333761
113211-94-2
1-(Bromomethyl)-2,3-difluorobenzene
1-(Bromomethyl)-2,3-difluorobenzene #
SCHEMBL127091
AM61269
EN300-15239
D4320
AC-9730
2,3-Difluorobenzyl bromide
1-bromomethyl-2,3-difluoro-benzene
alpha-Bromo-2,3-difluorotoluene
FT-0609617
2,3-difluorobenzyl-bromide
AKOS005064084
ALPHA-BROMO-2,3-DIFLUOROTOLUENE
1-(bromomethyl)-2,3-difluorobenzene
α-Bromo-2,3-difluorotoluene
TIMTEC-BB SBB006681
2,3-Difluorophenyl bromide
à-bromo-2,3-difluorotoluene
2,3-Difluorobenzylbromide98%
2,3-Difluorobenzyl bromide 98%

MDL Number

MFCD00042488

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2)?

1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2) is a crystalline solid with a molecular weight of approximately 215.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and chloroform. Chemically, it is less reactive towards nucleophiles due to the presence of the bromomethyl group. It is stable under normal conditions but can undergo halogenation reactions under certain conditions.

How is 1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2) typically synthesized?

1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2) can be synthesized via a one-pot reaction where 2,3-difluorobenzyl bromide reacts with 1-bromopropane in the presence of a base such as potassium carbonate. This method provides a high yield and good selectivity for the desired product under mild conditions.

What industries use 1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2)?

1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry to modify the properties of polymers, in the semiconductor industry for organic semiconductor materials, and in sensor technology for its chemical reactivity.

What precautions should be taken when handling 1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2)?

When handling 1-(Bromomethyl)-2,3-difluorobenzene (CAS: 113211-94-2), it is crucial to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. In case of a spill, use appropriate spill cleanup materials and ensure proper disposal. Always refer to the safety data sheet (SDS) for detailed emergency procedures and storage recommendations.