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Home > Encyclopedia > 3-Bromo-2-methylbenzoic acid

3-Bromo-2-methylbenzoic acid

3-Bromo-2-methylbenzoic acid structure

3-Bromo-2-methylbenzoic acid 

structure
  • CAS No:

    76006-33-2

  • Formula:

    C8H7BrO2

  • Chemical Name:

    3-Bromo-2-methylbenzoic acid

  • Synonyms:

    3-BROMO-2-METHYLBENZOIC ACID;2-METHYL-3-BROMO BENZOIC ACID;3-BROMO-2-METHYLBENZOIC ACID 98%;3-Bromo-o-toluic Acid;3-Bromo-2-methylbenzoic acid,97%;3-Bromo-2-methylbenz;2-Bromo-6-carboxytoluene;2-Bromo-6-carboxytoluene, 3-Bromo-o-toluic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White to orange or brown powder

3-Bromo-2-methylbenzoic acid Basic Attributes

215.04

213.962936

DTXSID40370815

2916399090

Characteristics

37.3

2.5

White to orange or brown Powder

1.6±0.1 g/cm3

152-156 °C(lit.)

316.1ºC at 760 mmHg

145.0±24.6 °C

1.595

soluble in chloroform, methanol

Room temperature.

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

26-36/37/39-37/39

Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromo-2-methylbenzoic acid Use and Manufacturing

3-Bromo-2-methylbenzoic Acid is a disubstituted benzoic acid used in the preparation of various biologically active compounds such as α-2 adrenoceptor agonists, Smootherned receptor anatogonists and HIV-1 entry inhibitors.

Computed Properties

Molecular Weight:215.04
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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