1-Bromo-3-fluoro-5-methylbenzene

Basic Information

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CAS Number

202865-83-6

Molecular Formula

C7H6BrF

Molecular Weight

189.03 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

183.4℃ at 760 mmHg

Flash Point

67.1℃

SMILES

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CC1=CC(=CC(=C1)Br)F

InChI

InChI=1S/C7H6BrF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

InChIKey

CTNFNUQREIIROB-UHFFFAOYSA-N

LogP

2.8966200000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

94.9

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID00378433
3-Bromo-5-fluorotoluene
J-512519
AC-2351
AKOS005145621
1-bromo-3-fluoro-5-methylbenzene
MFCD01861195
Z600393520
3-bromo-5-fluoro toluene
3-fluoro-5-bromotoluene
SY017744
A4418
5-bromo-3-fluorotoluene
AM20060277
SCHEMBL1438354
CS-W002837
1-bromo-3-fluoro-5-methyl-benzene
GS-3264
Benzene, 1-bromo-3-fluoro-5-methyl-
CTNFNUQREIIROB-UHFFFAOYSA-N
EN300-50152
Ethyl 4-[(6-chloropyridin-3-yl)amino]benzoate
3-bromo-5-fluorotoluene, AldrichCPR
FT-0643893
202865-83-6
1-Bromo-3-fluoro-5-methylbenzene
3-Fluoro-5-bromotoluene
3-Brom-5-fluor-toluol
Benzene,1-bromo-3-fluoro-5-methyl
PubChem3237
KSC493K3L

MDL Number

MFCD01861195

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-3-fluoro-5-methylbenzene (CAS: 202865-83-6)?

1-Bromo-3-fluoro-5-methylbenzene is a white crystalline solid with a molecular weight of approximately 223.04 g/mol. It has a melting point of 64-66°C and a boiling point of 214-216°C. The compound is slightly soluble in water but more soluble in organic solvents like methanol and dichloromethane. Chemically, it is relatively stable but can undergo electrophilic aromatic substitution reactions. It has a bromine atom, a fluoro group, and a methyl group substituent on the benzene ring.

How is 1-Bromo-3-fluoro-5-methylbenzene (CAS: 202865-83-6) typically synthesized?

1-Bromo-3-fluoro-5-methylbenzene can be synthesized from bromination of 3-fluoro-5-methylbenzene using bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction is typically carried out in a chlorinated solvent like dichloromethane. The yield is around 70-80%, and the selectivity towards the bromination product is high due to the ortho and para directing effects of the methyl and fluoro substituents.

What industries use 1-Bromo-3-fluoro-5-methylbenzene (CAS: 202865-83-6)?

1-Bromo-3-fluoro-5-methylbenzene is primarily used in the pharmaceutical and chemical industries. It serves as a precursor for the synthesis of various drugs and intermediates. In the polymer industry, it can be used in the production of speciality polymers. Additionally, it has potential applications in the development of sensors and electronic materials due to its unique chemical structure.

What precautions should be taken when handling 1-Bromo-3-fluoro-5-methylbenzene (CAS: 202865-83-6)?

When handling 1-Bromo-3-fluoro-5-methylbenzene, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or under a fume hood due to potential evaporation and inhalation risks. In case of a spill, the area should be cleaned immediately using appropriate chemical waste disposal procedures. Always refer to the Safety Data Sheet (SDS) for specific handling and emergency information. Storage should be in a cool, dark, and dry place, away from incompatible materials.