2-Bromo-5-methylbenzoic acid

Basic Information

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CAS Number

6967-82-4

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

136.0 to 140.0 deg-C

Flash Point

142.3℃

SMILES

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

InChI

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

InChIKey

ZXMISUUIYPFORW-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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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A9215
6967-82-4
2-bromanyl-5-methyl-benzoic acid
2-Bromo-5-Methyl-Benzoic Acid
CL8030
Benzoic acid, 2-bromo-5-methyl-
NSC-20686
2-Bromo-5-methylbenzoic acid, 97%
AM20060892
AC-3916
MFCD00079722
SY017020
AKOS000298677
Z1269210419
NSC20686
J-508399
EN300-109863
DTXSID90281184
A1-00235
SCHEMBL500361
A836600
2-Bromo-5-methyl benzoic acid
6-Bromo-m-toluic acid
B4145
FT-0611492
PS-7951
2-Bromo-5-methylbenzoic acid
CS-W014909
2-(PROPYLTHIO)PYRIDINE-3-CARBONYLCHLORIDE
m-Toluicacid, 6-bromo- (6CI,7CI,8CI)
NSC 20686

MDL Number

MFCD00079722

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4)?

2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4) falls under the GHS classification as a hazardous chemical due to its bromine content. It is regulated by REACH in the EU, which requires manufacturers and importers to register substances above a certain tonnage and to provide safety data sheets. In the US, the EPA and FDA may oversee its use in pharmaceuticals and food contact materials, respectively. Compliance with these regulations ensures safe handling and disposal.

Are there alternatives to 2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4) in synthesis?

Alternatives to 2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4) include 2-Methylbenzoic acid and 5-Bromo-2-methylbenzoic acid. These can be used as substitutes depending on the specific reaction conditions and desired properties. Other common alternatives include benzoic acid derivatives like 4-Bromo-2-methylbenzoic acid or 2-Chloro-5-methylbenzoic acid.

What is the market or research trend for 2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4)?

The market for 2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4) is driven by its application in pharmaceuticals and agrochemicals. Research trends focus on its use as a precursor for medicinal compounds and herbicides. Recent studies highlight its potential in developing new drug candidates and pesticides. Demand is expected to grow with advancements in synthetic chemistry and new chemical entity development.

How should waste containing 2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4) be handled?

Waste containing 2-Bromo-5-methylbenzoic acid (CAS: 6967-82-4) should be collected in appropriate containers and stored in a well-ventilated area away from sources of ignition. Incineration is a common method of disposal, but professional waste disposal services are recommended for safety and compliance. Ensure all handling follows the relevant regulatory guidelines and safety protocols to prevent environmental contamination and ensure worker safety.