1-chloro-3-fluoro-2-methylbenzene

Basic Information

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CAS Number

443-83-4

Molecular Formula

C7H6ClF

Molecular Weight

144.58 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

153°C

Refractive Index

n20/D 1.504(lit.)

SMILES

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CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

InChIKey

FNPVYRJTBXHIPB-UHFFFAOYSA-N

LogP

2.7875200000000016

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

94.9

Safety Information

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GHS Hazard Pictograms

H226

H302

H312

H332

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 3 Class 3

Synonyms & References

English

2-FLUORO-6-CHLOROTOLUENE
SCHEMBL108893
NS00009147
443-83-4
2-chloro-6-fluoro toluene
FT-0611867
Benzene, 1-chloro-3-fluoro-2-methyl-
2-Chloro-6-fluorotoluene, 97%
6-chloro-2-fluorotoluene
FNPVYRJTBXHIPB-UHFFFAOYSA-
A6745
EC 207-141-9
CS-W011001
AKOS005063620
2Cloro 6Fluorotoluene
DTXSID1059997
EINECS 207-141-9
EN300-85918
1-Chloro-3-fluoro-2-methylbenzene
AM61976
W-106199
AC-7437
C1181
MFCD00000570
InChI=1/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
2-Chloro-6-fluorotoluene
Chlorofluorotoluene3
1-chloro-3-fluoro-2-methyl-benzene
2-Chlor-6-fluortoluol
2-Chloro-6-fluorotol
2-chloro-6-fluoro-toluene

MDL Number

MFCD00000570

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-chloro-3-fluoro-2-methylbenzene (CAS: 443-83-4)?

1-Chloro-3-fluoro-2-methylbenzene is a crystalline solid with a molecular weight of approximately 173.6 g/mol. It is slightly soluble in water but more soluble in common organic solvents like ethanol and acetone. Chemically, it is less reactive than its parent aromatic compounds, showing moderate electrophilic substitution reactivity and limited reactivity towards nucleophiles.

How is 1-chloro-3-fluoro-2-methylbenzene (CAS: 443-83-4) typically synthesized?

1-Chloro-3-fluoro-2-methylbenzene can be synthesized via a series of steps, including the preparation of 2-methylbenzyl chloride, followed by alkylation with fluorobenzene. This process often involves the use of Lewis acids as catalysts, such as aluminum chloride, to promote the electrophilic aromatic substitution reaction. The overall yield is generally around 70-80%.

What industries use 1-chloro-3-fluoro-2-methylbenzene (CAS: 443-83-4)?

1-Chloro-3-fluoro-2-methylbenzene is used in various industries, particularly in pharmaceuticals for the synthesis of certain active pharmaceutical ingredients (APIs). It is also utilized in the production of organic semiconductors and in the formulation of certain sensor technologies. Its specific applications can vary based on the exact chemical and physical properties required for the end-use product.

What precautions should be taken when handling 1-chloro-3-fluoro-2-methylbenzene (CAS: 443-83-4)?

When handling 1-chloro-3-fluoro-2-methylbenzene, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should always be consulted for detailed safety information.