4-Bromo-2,2-diphenylbutanoic acid

Basic Information

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CAS Number

37742-98-6

Molecular Formula

C16H15BrO2

Molecular Weight

319.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

131 ºC (dec.)

Boiling Point

365.8 °C at 760 mmHg

Density

1.406

Flash Point

175 °C

Refractive Index

1.606

SMILES

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C1=CC=C(C=C1)C(CCBr)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H15BrO2/c17-12-11-16(15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)

InChIKey

GFIYIIRFIODLLU-UHFFFAOYSA-N

LogP

3.8423000000000025

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

273

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

A823850
DS-0940
AKOS005254450
B3597
4-bromo-2,2-diphenyl-butyric acid
FT-0617728
AC-13030
4-bromanyl-2,2-diphenyl-butanoic acid
37742-12-4
SR-01000944698-1
37742-98-6
4-bromo-2,2-diphenylbutanoic acid
UNII-NA0ATV0SQD
EINECS 253-648-3
MFCD01321300
Benzeneacetic acid, a-(2-bromoethyl)-a-phenyl-
GFIYIIRFIODLLU-UHFFFAOYSA-N
SCHEMBL395172
NS00030284
DTXSID20191181
SR-01000944698
4-Bromo-2,2-diphenylbutyricacid
FT-0660926
W-106518
O11168
4-Bromo-2,2-diphenylbutyric acid
NA0ATV0SQD
alpha-(2-bromoethyl)-alpha-phenylbenzeneacetic acid
4-Bromo-2,2-diphenylbutanoic acid
2,2-diphenyl-4-bromobutyric acid
4-Brom-2,2-diphenylbuttersaeure

MDL Number

MFCD01321300

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Bromo-2,2-diphenylbutanoic acid (CAS: 37742-98-6)?

4-Bromo-2,2-diphenylbutanoic acid is a white crystalline solid with a molecular weight of approximately 347.24 g/mol. It is slightly soluble in water but soluble in organic solvents like methanol and dimethylformamide. Chemically, it is relatively stable but can react with strong bases to form the corresponding sodium salt. Its reactivity is moderate and it is used in various organic synthesis processes.

How is 4-Bromo-2,2-diphenylbutanoic acid (CAS: 37742-98-6) typically synthesized?

4-Bromo-2,2-diphenylbutanoic acid is typically synthesized via the bromination of 2,2-diphenylbutanoic acid in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction involves the electrophilic bromination of the acid, followed by purification and crystallization steps to obtain the pure compound with high yield and selectivity.

What industries use 4-Bromo-2,2-diphenylbutanoic acid (CAS: 37742-98-6)?

4-Bromo-2,2-diphenylbutanoic acid is used in the pharmaceutical industry for the synthesis of certain APIs and in research for developing new drug candidates. It is also utilized in the polymer industry for modifying and functionalizing polymer chains. Additionally, it has applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-Bromo-2,2-diphenylbutanoic acid (CAS: 37742-98-6)?

When handling 4-Bromo-2,2-diphenylbutanoic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, well-ventilated area away from heat sources and incompatible materials. Ensure proper ventilation and use a fume hood during handling. In case of a spill, immediately clean up using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for additional information.