2-Bromo-4-fluorobenzaldehyde

Basic Information

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CAS Number

59142-68-6

Molecular Formula

C7H4BrFO

Molecular Weight

203.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

63.0 to 67.0 deg-C

Boiling Point

234.9℃ at 760 mmHg

Density

1.70

Flash Point

95.9℃

Refractive Index

1.585

SMILES

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C1=CC(=C(C=C1F)Br)C=O

InChI

InChI=1S/C7H4BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H

InChIKey

OPZDXMCOWFPQPE-UHFFFAOYSA-N

LogP

2.4007000000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

129

Safety Information

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GHS Hazard Pictograms

H315

H319

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Synonyms & References

English

J-508293
BCP29430
2-Bromo-4-fluorobenzaldehyde
Z1079442442
EN300-102567
AM20060032
MFCD00672923
PS-8173
FT-0640583
DTXSID70378369
2-bromo-4-fluoro-benzaldehyde
Benzaldehyde, 2-bromo-4-fluoro-
CS-W007439
SY014169
2-Bromo-4-fluorobenzaldehyde, AldrichCPR
SCHEMBL249018
Bromo-4-fluoro benzaldehyde
B3498
OPZDXMCOWFPQPE-UHFFFAOYSA-N
2-bromo4-fluoro-benzaldehyde
59142-68-6
2-Bromo-4-fluorobezaldehyde
2-Bromo-4-Fluoro Benzaldehyde;Benzaldehyde, 2-bromo-4-fluoro-
AB06851
AKOS005144223
AC-2291
2-Brom-4-fluorbenzaldehyd
2-bromo-4-fluoroaldehyde
4-fluoro-2-bromo-benzaldehyde

MDL Number

MFCD00672923

Customs Code

2912299000

FAQ

What are the physical and chemical properties of 2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6)?

2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6) is a crystalline solid with a molecular weight of approximately 217.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly with nucleophiles and reducing agents. It reacts with amines to form N-substituted derivatives and can be reduced to 2-bromo-4-fluorobenzyl alcohol.

How is 2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6) typically synthesized?

2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6) is commonly synthesized via bromination of 4-fluorobenzaldehyde using N-bromosuccinimide (NBS) in the presence of a radical initiator like AIBN. The reaction involves electrophilic aromatic substitution, followed by reduction of the bromo group to form the aldehyde. The yield is around 70-80%, and the process is conducted under mild conditions to ensure high selectivity.

What industries use 2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6)?

2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6) is utilized in the pharmaceutical industry for the synthesis of various intermediates and active pharmaceutical ingredients. It also finds applications in the production of polymers, where it serves as a monomer or a coupling agent. Additionally, it is used in the development of sensors and semiconductors, particularly in the preparation of functionalized materials.

What precautions should be taken when handling 2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6)?

Handling 2-Bromo-4-fluorobenzaldehyde (CAS: 59142-68-6) requires appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. In case of spill, immediately clean up using appropriate absorbent materials and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.