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Home > Encyclopedia > 2-Bromo-5-methoxybenzoic acid

2-Bromo-5-methoxybenzoic acid

2-Bromo-5-methoxybenzoic acid structure

2-Bromo-5-methoxybenzoic acid 

structure
  • CAS No:

    22921-68-2

  • Formula:

    C8H7BrO3

  • Chemical Name:

    2-Bromo-5-methoxybenzoic acid

  • Synonyms:

    Benzoic acid,2-bromo-5-methoxy-;m-Anisic acid,6-bromo-;2-Bromo-5-methoxybenzoic acid;5-Methoxy-2-bromobenzoic acid;2-Bromo-5-(methyloxy)benzoic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

white to light yellow crystal powder

2-Bromo-5-methoxybenzoic acid Basic Attributes

231.045

231.04

245-329-2

DTXSID80177466

2918990090

Characteristics

46.5

3

white to light yellow crystal powder

1.6±0.1 g/cm3

161-162 °C

337.8°C at 760 mmHg

158.1±23.7 °C

1.584

4E-05mmHg at 25°C

Safety Information

NONH for all modes of transport

3

R36/37/38

S26-S36

P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Danger|H302 (55.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 18 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:231.04
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:229.95786
Monoisotopic Mass:229.95786
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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