2-Bromo-6-methylbenzoic acid

Basic Information

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CAS Number

90259-31-7

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

108.0 to 112.0 deg-C

Boiling Point

307.1°C at 760 mmHg

SMILES

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

InChI

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

InChIKey

ICXBPDJQFPIBSS-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

H301

H319

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-Bromo-6-methylbenzoic acid
6-Bromo-o-toluic acid
2-Brom-6-methyl-benzoesaeure
2-bromo-6-methylbenzoate
2-bromo-6-methyl-benzoic acid
6-bromo-2-methylbenzoic acid
o-Toluicacid, 6-bromo- (6CI)
Benzoic acid, 2-bromo-6-methyl-
Bromtoluylsaure
Bromotoluic acid
PubChem4715
KSC494K9R
3-BROMO-2-CARBOXYTOLUENE
ICXBPDJQFPIBSS-UHFFFAOYSA-N
SBB052830
WT1616
CL8032
2-BROMO-6-METHYL-BENZOICACID
MCU
2-Bromo-6-methylbenzoic acid (ACI)
o-Toluic acid, 6-bromo- (6CI)
2-bromo-6-methylbenzoic acid
Z1269193165
MFCD01310788
90259-31-7
DTXSID80370814
PS-7947
2-Bromo-6-methylbenzoic acid, 96%
2-bromo-6-methyl-benzoic Acid
SCHEMBL697453
AC-26012

MDL Number

MFCD01310788

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7)?

2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7) falls under various regulatory frameworks. It is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), requiring specific labeling and handling instructions. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) for safety and environmental protection. Additionally, FDA and EPA guidelines apply for its use in pharmaceuticals and environmental releases, respectively.

Are there alternatives to 2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7) in synthesis?

Yes, there are alternatives to 2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7) in synthesis. Common alternatives include brominated and methylated benzoic acid derivatives, such as 2-Chloro-6-methylbenzoic acid and 2-Methylbenzoic acid. These alternatives offer similar functionality and can be used in various chemical reactions.

What is the market or research trend for 2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7)?

The market and research trends for 2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7) are driven by its applications in pharmaceuticals and agrochemicals. Increasing research focuses on its potential as an intermediate in drug synthesis and as a pesticide component. Market trends show steady demand, with continuous exploration of its properties and applications in novel formulations.

How should waste containing 2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7) be handled?

Waste containing 2-Bromo-6-methylbenzoic acid (CAS: 90259-31-7) should be handled with caution due to its hazardous nature. Collect waste liquids in appropriate containers, ensuring proper labeling. For solid waste, use incineration under controlled conditions or professional waste disposal services. Implement environmental protection precautions, such as neutralizing any acidic or basic residues before disposal, to minimize environmental impact.