4-Bromo-2,6-dimethylbenzoic acid

Basic Information

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CAS Number

74346-19-3

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=CC(=CC(=C1C(=O)O)C)Br

InChI

InChI=1S/C9H9BrO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)

InChIKey

DJZAABLAECNINV-UHFFFAOYSA-N

LogP

2.7641400000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

169

Synonyms & References

English

4-bromo-2,6-dimethylbenzoicacid
A838100
DTXSID80474760
SY024401
DJZAABLAECNINV-UHFFFAOYSA-N
74346-19-3
BENZOIC ACID, 4-BROMO-2,6-DIMETHYL-
Z406353698
MB08312
CL8106
FT-0709001
AC-7720
AB01332620-02
TS-03248
CS-W006638
SCHEMBL596184
AKOS008127730
4-Bromo-2,6-dimethylbenzoic acid, AldrichCPR
EN300-39927
AM20061157
4-Bromo-2 pound not6-dimethylbenzoic acid
4-bromo-2,6-dimethylbenzoic acid
NCGC00339526-01
J-514618
4-bromo-2,6-dimethyl-benzoic acid
4-Bromo-2,6-dimethyl benzoic acid
MFCD09965997
4-bromanyl-2,6-dimethyl-benzoic acid
4-Bromo-2,6-dimethylbenzoic acid
Benzoic acid, 4-bromo-2,6-dimethyl-
KSC886C6J

MDL Number

MFCD09965997

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Bromo-2,6-dimethylbenzoic acid (CAS: 74346-19-3)?

4-Bromo-2,6-dimethylbenzoic acid is a crystalline solid with a molecular weight of approximately 240.03 g/mol. It has a low water solubility and is slightly soluble in common organic solvents like ethanol and acetone. The compound is known for its reactivity, particularly towards nucleophilic aromatic substitution and esterification reactions.

How is 4-Bromo-2,6-dimethylbenzoic acid (CAS: 74346-19-3) typically synthesized?

4-Bromo-2,6-dimethylbenzoic acid is commonly synthesized via bromination of 2,6-dimethylbenzoic acid using bromine in the presence of a suitable catalyst, such as iron(III) bromide. The reaction conditions are typically optimized for high yield and selectivity.

What industries use 4-Bromo-2,6-dimethylbenzoic acid (CAS: 74346-19-3)?

4-Bromo-2,6-dimethylbenzoic acid finds applications in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for the modification of polymers. It is also used in the production of sensors and semiconductors due to its electronic properties.

What precautions should be taken when handling 4-Bromo-2,6-dimethylbenzoic acid (CAS: 74346-19-3)?

When handling 4-Bromo-2,6-dimethylbenzoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area, preferably in a fume hood, to minimize exposure. In case of a spill, it should be cleaned up immediately using appropriate spill response procedures, and an SDS (Safety Data Sheet) should be consulted for specific instructions.