3-Bromo-4-methylbenzoic acid

Basic Information

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CAS Number

7697-26-9

Molecular Formula

C8H7BrO2

Molecular Weight

215.05 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

Melting Point

207.0 to 213.0 deg-C

Boiling Point

329.8 °C at 760 mmHg

Density

1.599

Water Solubility

Soluble in methanol. Insoluble in water.

Flash Point

153.3 °C

SMILES

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CC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)

InChIKey

ZFJOMUKPDWNRFI-UHFFFAOYSA-N

LogP

2.4557200000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS000319488
3-Bromo-4-methylbenzoicacid
CK2240
Z57204180
7697-26-9
NSC-243715
bromo-para-toluic acid
UNII-R2RQS96EGB
MFCD00002488
A840107
DTXSID60227751
P-TOLUIC ACID, 3-BROMO-
3-Bromo-4-methylbenzoic acid, technical grade, 85%
EN300-92405
NSC243715
FT-0615248
3-Bromo-p-toluic Acid
CS-W007779
3-bromanyl-4-methyl-benzoic acid
AM20060119
AC-7748
A9753
J-511939
EINECS 231-712-1
3-Bromo-4-methylbenzoic acid
Benzoic acid, 3-bromo-4-methyl-
BCP24534
SCHEMBL154862
NSC 243715
3-Bromo-4-Methyl-Benzoic Acid
B3049

MDL Number

MFCD00002488

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Bromo-4-methylbenzoic acid (CAS: 7697-26-9)?

3-Bromo-4-methylbenzoic acid is a white to off-white crystalline solid with a molecular weight of approximately 228.04 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is reactive towards bases and nucleophiles, making it useful in various synthetic transformations.

How is 3-Bromo-4-methylbenzoic acid (CAS: 7697-26-9) typically synthesized?

3-Bromo-4-methylbenzoic acid is commonly synthesized via bromination of 4-methylbenzoic acid using N-bromosuccinimide (NBS) in the presence of a radical initiator like AIBN. The reaction is typically carried out in an inert solvent like acetonitrile, yielding a high purity product with good selectivity and yield.

What industries use 3-Bromo-4-methylbenzoic acid (CAS: 7697-26-9)?

3-Bromo-4-methylbenzoic acid is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also employed in the polymer industry for the development of functionalized polymers and in the semiconductor industry for certain photoresist materials.

What precautions should be taken when handling 3-Bromo-4-methylbenzoic acid (CAS: 7697-26-9)?

When handling 3-Bromo-4-methylbenzoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work in a fume hood to minimize inhalation risks. Store in a cool, dry place away from heat sources. In case of spill, use appropriate spill kits and follow safety data sheet (SDS) guidelines for disposal.