4-Bromo-3-methylbenzoic acid

Basic Information

View in Editor

CAS Number

7697-28-1

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

Physical State

White to Yellow Solid

Melting Point

212.0 to 218.0 deg-C

Boiling Point

311.4ºCat 760 mmHg

Density

1.599 g/cm3

Flash Point

142.1℃

SMILES

View in Editor

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

InChI

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

InChIKey

KWVXDZLVCISXIB-UHFFFAOYSA-N

LogP

2.4557200000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BCP24563
4-Bromo-m-toluic Acid
BENZOIC ACID, 4-BROMO-3-METHYL-
BP-10001
EN300-116635
FT-0600920
W-104331
MFCD00039526
3-METHYL-4-BROMOBENZOIC ACID
PS-7946
AM20060120
NS00037868
DTXSID20227752
4-Bromo-3-methylbenzoicacid
7697-28-1
CS-W002178
STR06302
AKOS000298678
A15957
Z1269154857
4-Bromo-3-methyl benzoic acid
EINECS 231-713-7
4-bromo-3-methylbenzenecarboxylic acid
Q27451078
4-Bromo-3-methyl-benzoic acid
4-bromo-5-methylbenzoic acid
UNII-B77W8W6R4Q
AC-3917
4-Bromo-3-methylbenzoic acid
4bromo-3-methylbenzoic acid
KWVXDZLVCISXIB-UHFFFAOYSA-N

MDL Number

MFCD00039526

Customs Code

2916399090

FAQ

What is 4-Bromo-3-methylbenzoic acid (CAS: 7697-28-1)?

4-Bromo-3-methylbenzoic acid is an organic compound with the chemical formula C8H7BrO2. It is a white crystalline solid with a pungent odor. This compound is used in the synthesis of various pharmaceuticals and agrochemicals.

What are the main uses of 4-Bromo-3-methylbenzoic acid (CAS: 7697-28-1)?

4-Bromo-3-methylbenzoic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It is also used in the agrochemical sector as a component in the development of herbicides and pesticides.

Is 4-Bromo-3-methylbenzoic acid (CAS: 7697-28-1) safe?

4-Bromo-3-methylbenzoic acid can be toxic if ingested or inhaled. It is important to handle it with appropriate personal protective equipment, such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place, away from direct sunlight and heat sources. Compliance with safety standards and regulations is essential to ensure safe handling and use.

How should 4-Bromo-3-methylbenzoic acid (CAS: 7697-28-1) be stored?

4-Bromo-3-methylbenzoic acid should be stored in a tightly closed container in a cool, dry place, away from direct sunlight and heat sources. The storage temperature should not exceed 25°C (77°F). Keep the compound away from any sources of ignition and incompatible materials. Proper ventilation is required during storage and use to avoid inhalation of fumes.