1-Bromo-2-chloro-4-(trifluoromethyl)benzene

Basic Information

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CAS Number

402-04-0

Molecular Formula

C7H3BrClF3

Molecular Weight

259.45 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

211.3℃ at 760 mmHg

SMILES

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C1=CC(=C(C=C1C(F)(F)F)Cl)Br

InChI

InChI=1S/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChIKey

RVTIHGGJJMXISV-UHFFFAOYSA-N

LogP

4.121300000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

159

Synonyms & References

English

AKOS005256164
2-Chloro-4-trifluoromethylbromobenzene
AM20050451
A6724
SCHEMBL1460004
MFCD00673985
1-Bromo-2-chloro-4-trifluoromethylbenzene
DS-0867
CS-W002666
J-504391
DTXSID30558307
CYCLOHEXANECARBOXYLICACID,4-METHYL-,ETHYLESTER
4-Bromo-3-chlorobenzotrifluoride
2-Chloro-4-trifluoromethyl-1-bromobenzene
402-04-0
BENZENE, 1-BROMO-2-CHLORO-4-(TRIFLUOROMETHYL)-
SY022908
1-bromo-2-chloro-4-(trifluoromethyl)benzene
J-650085
FT-0617814
3-Chloro-4-bromobenzotrifluoride
1-BROMO-2-CHLORO-4-TRIFLUOROMETHYL-BENZENE
4-CF3-2-CHLORO-BROMO BENZENE

MDL Number

MFCD00673985

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-2-chloro-4-(trifluoromethyl)benzene (CAS: 402-04-0)?

1-Bromo-2-chloro-4-(trifluoromethyl)benzene is a clear or colorless liquid with a molecular weight of 265.01 g/mol. It has a low solubility in water (less than 1 g/L) and is highly soluble in organic solvents such as dichloromethane and toluene. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It solidifies at -22°C and boils at 100-101°C under 760 mm Hg pressure.

How is 1-Bromo-2-chloro-4-(trifluoromethyl)benzene (CAS: 402-04-0) typically synthesized?

1-Bromo-2-chloro-4-(trifluoromethyl)benzene is typically synthesized via a substitution reaction of 2-chloro-4-(trifluoromethyl)benzene with bromine. The reaction is performed under basic conditions using sodium hydroxide as a catalyst. The yield is around 75-80%, and the product is purified by recrystallization from ethanol or by distillation.

What industries use 1-Bromo-2-chloro-4-(trifluoromethyl)benzene (CAS: 402-04-0)?

1-Bromo-2-chloro-4-(trifluoromethyl)benzene is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs and intermediates. It also finds applications in the polymer industry for the production of fluorinated polymers and in the semiconductor industry for the manufacture of electronic materials. Its trifluoromethyl group makes it useful for its electronic and steric properties.

What precautions should be taken when handling 1-Bromo-2-chloro-4-(trifluoromethyl)benzene (CAS: 402-04-0)?

Proper handling of 1-Bromo-2-chloro-4-(trifluoromethyl)benzene requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be handled with caution, using absorbent materials and properly disposing of the contaminated materials. Always refer to the safety data sheet (SDS) for detailed emergency procedures and storage guidelines.