5-Bromo-2-fluoro-1,3-dimethylbenzene

Basic Information

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CAS Number

99725-44-7

Molecular Formula

C8H8BrF

Molecular Weight

203.05 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

89°C/17mmHg

Density

1.426±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

80.4±20.8 ºC,

Refractive Index

1.52

SMILES

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CC1=CC(=CC(=C1F)C)Br

InChI

InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

InChIKey

ZXPHUVHMBKRRJF-UHFFFAOYSA-N

LogP

3.205040000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

104

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

5-bromanyl-2-fluoranyl-1,3-dimethyl-benzene
1-Bromo-4-fluoro-3,5-dimethylbenzene
5-Bromo-2-fluoro-1,3-xylene
ZXPHUVHMBKRRJF-UHFFFAOYSA-N
4-bromo-2,6-dimethylfluorobenzene
5-bromo-2-fluoro-1,3-dimethyl-benzene
5-Bromo-2-Fluoro-M-Xylene
SY030457
99725-44-7
EN300-99909
A821215
MFCD01320701
B4370
Benzene, 5-bromo-2-fluoro-1,3-dimethyl-
A20760
5-bromo-2-fluoro-1,3-dimethylbenzene
5-bromo-2-fluoro-3-xylene
TS-00346
5-Bromo-2-fluoro-1,3-dimethylbenzene, AldrichCPR
FT-0642404
CS-B0858
DTXSID90371256
SCHEMBL1144875
AKOS015834385
5-Bromo-2-fluoro-1 pound not3-dimethylbenzene
5-Bromo-2-fluoro-1,3-xylene;5-Bromo-2-fluoro-1,3-dimethylbenzene;5-Bromo-2-fluoro-m-xylene
J-516929
AM62516
5-Bromo-2-fluoro-1,3-dimethylbenzene
5-Bromo-2-fluoro-m-xylene
4-BROMO-2,6-DIMETHYLFLUOROBENZENE

MDL Number

MFCD01320701

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 5-Bromo-2-fluoro-1,3-dimethylbenzene (CAS: 99725-44-7)?

5-Bromo-2-fluoro-1,3-dimethylbenzene is a crystalline solid with a molecular weight of approximately 227.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and chloroform. This compound is relatively stable but can undergo substitution reactions. It is used in the synthesis of various pharmaceuticals and organic compounds.

How is 5-Bromo-2-fluoro-1,3-dimethylbenzene (CAS: 99725-44-7) typically synthesized?

5-Bromo-2-fluoro-1,3-dimethylbenzene can be synthesized via a bromination and fluorination process starting from 1,3-dimethylbenzene. The reaction is catalyzed by a Lewis acid like aluminum bromide and typically yields a high selectivity towards the bromo and fluoro substitution. The process requires careful control of reaction conditions to achieve a high yield.

What industries use 5-Bromo-2-fluoro-1,3-dimethylbenzene (CAS: 99725-44-7)?

5-Bromo-2-fluoro-1,3-dimethylbenzene is primarily used in the pharmaceutical and fine chemical industries for the synthesis of drug intermediates. It is also utilized in the polymer industry for functionalizing polymers and in the semiconductor industry for the production of photoresists and other electronic materials.

What precautions should be taken when handling 5-Bromo-2-fluoro-1,3-dimethylbenzene (CAS: 99725-44-7)?

When handling 5-Bromo-2-fluoro-1,3-dimethylbenzene, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents and the site should be thoroughly rinsed. Always consult the Safety Data Sheet (SDS) for detailed safety information.