1-(Bromomethyl)-4-(difluoromethoxy)benzene

Basic Information

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CAS Number

3447-53-8

Molecular Formula

C8H7BrF2O

Molecular Weight

237.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

52°C/0.2mmHg

Density

1.5±0.1 g/cm3

Water Solubility

Slightly soluble in water.

Flash Point

117.3±10.2 °C

Refractive Index

1.5200

Vapor Pressure

0.1±0.5 mmHg at 25°C

SMILES

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C1=CC(=CC=C1CBr)OC(F)F

InChI

InChI=1S/C8H7BrF2O/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2

InChIKey

IFNMJBFIRKAQBT-UHFFFAOYSA-N

LogP

3.182900000000002

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

124

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

4-difluoromethoxybenzyl bromide
4-(Difluoromethoxy)benzyl bromide
CS-W005882
Benzene, 1-(bromomethyl)-4-(difluoromethoxy)-
FT-0616747
A822251
SCHEMBL242176
DS-4569
4-(Difluoromethoxy)benzyl bromide, AldrichCPR
DTXSID70371759
1-(bromomethyl)-4-(difluoromethoxy)benzene
AKOS009157575
4-difluoromethoxy-benzyl bromide
W-202412
F0001-1004
EN300-1228924
1-bromomethyl-4-difluoromethoxy-benzene
3447-53-8
D4956
MFCD00085007
CK2037
1-(Bromomethyl)-4-(difluoromethoxy)benzene
p-(Difluoromethoxy)benzyl Bromide
1-bromomethyl-4-difluoromethoxybenzene
[4-(bromomethyl)phenoxy]difluoromethane
IFNMJBFIRKAQBT-UHFFFAOYSA-N
SBB098721
4155AB
AS00698
VZ27888
C

MDL Number

MFCD00085007

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8)?

1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8) is a crystalline compound with a molecular weight of approximately 242.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and ethyl acetate. The compound is moderately reactive, showing susceptibility to nucleophilic substitution reactions. It is also sensitive to strong bases and reducing agents.

How is 1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8) typically synthesized?

1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8) is typically synthesized via a bromination reaction of 4-(difluoromethoxy)benzyl alcohol followed by further substitution. The reaction involves the use of N-bromosuccinimide (NBS) as a brominating agent and is performed in the presence of a suitable solvent like dichloromethane. The yield and selectivity of the reaction can be optimized with careful adjustment of reaction conditions.

What industries use 1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8)?

1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8) is used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also utilized in the polymer industry for the development of special polymers with unique properties. Additionally, it has applications in sensor technology for gas detection and semiconductors for specific electronic components.

What precautions should be taken when handling 1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8)?

When handling 1-(Bromomethyl)-4-(difluoromethoxy)benzene (CAS: 3447-53-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be used in a fume hood to minimize exposure to vapors. In case of a spill, immediately evacuate the area, ventilate the area, and clean up the spill using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.