2-Chloro-6-fluorobenzaldehyde

Basic Information

View in Editor

CAS Number

387-45-1

Molecular Formula

C7H4ClFO

Molecular Weight

158.56 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

35.0 to 39.0 deg-C

Boiling Point

92 ºC (10 mmHg)

Refractive Index

1.559

SMILES

View in Editor

C1=CC(=C(C(=C1)Cl)C=O)F

InChI

InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H

InChIKey

OACPOWYLLGHGCR-UHFFFAOYSA-N

LogP

2.2916

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

129

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

2-fluoro-6-chloro-benzaldehyde
51YJ9BW8W7
W-106469
EN300-19135
AM20060036
1,1-BIS(4-HYDROXYPHENYL)PENTANE
BP-10748
A824265
Benzaldehyde, 2-chloro-6-fluoro-
2chloro-6-fluorobenzaldehyde
C1424
UNII-51YJ9BW8W7
2-chloro-6-fluoro-benzaldehyde
DTXSID4022028
6-CHLORO-2-FLUOROBENZALDEHYDE
F2190-0601
AKOS000118947
EINECS 206-860-5
SCHEMBL154430
2-Chloro-6-fluorobenzaldehyde
387-45-1
HY-W015477
MFCD00003306
Q27260932
AC-2667
2-fluoro-6-chlorobenzaldehyde
NS00041775
2-Chloro-6-fluorobenzaldehyde, 95%
FT-0611851
SY002480
CS-W016193

MDL Number

MFCD00003306

Customs Code

29130000

FAQ

What are the physical and chemical properties of 2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1)?

2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1) is a crystalline solid with a molecular weight of approximately 199.01 g/mol. It has a low solubility in water (less than 1 g/L at 20°C) but is more soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive, typically undergoing nucleophilic substitution reactions. It is insoluble in nonpolar solvents such as hexane or toluene.

How is 2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1) typically synthesized?

2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1) can be synthesized by electrophilic chlorination of 6-fluorobenzenecarbaldehyde. Commonly, this involves treating 6-fluorobenzenecarbaldehyde with thionyl chloride in the presence of a suitable catalyst, such as aluminum chloride, to achieve high selectivity and yield. The reaction is typically performed under reflux conditions in anhydrous conditions to minimize side reactions.

What industries use 2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1)?

2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds and intermediates. It also finds applications in the production of resin and polymer compounds, and in the development of sensors and semiconductors due to its unique chemical reactivity and functional groups.

What precautions should be taken when handling 2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1)?

When handling 2-Chloro-6-fluorobenzaldehyde (CAS: 387-45-1), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or within a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated before resuming work. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.