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Home > Encyclopedia > 5-Bromo-2-methoxybenzenemethanol

5-Bromo-2-methoxybenzenemethanol

5-Bromo-2-methoxybenzenemethanol structure

5-Bromo-2-methoxybenzenemethanol 

structure
  • CAS No:

    80866-82-6

  • Formula:

    C8H9BrO2

  • Chemical Name:

    5-Bromo-2-methoxybenzenemethanol

  • Synonyms:

    Benzenemethanol,5-bromo-2-methoxy-;Benzyl alcohol,5-bromo-2-methoxy-;5-Bromo-2-methoxybenzenemethanol;3-Bromo-6-methoxybenzyl alcohol;5-Bromo-2-methoxybenzyl alcohol;2-Methoxy-5-bromobenzyl alcohol;(5-Bromo-2-methoxyphenyl)methanol

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

white to light yellow crystal powder

5-Bromo-2-methoxybenzenemethanol Basic Attributes

217.06

217.06

279-586-7

2909499000

Characteristics

29.5

1.5

1.5±0.1 g/cm3

72 °C

134.9±23.2 °C

1.570

Safety Information

NONH for all modes of transport

3

R36/37/38

S37/39-S26-S24/25

Xn: Harmful;

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

5-Bromo-2-methoxybenzenemethanol Use and Manufacturing

General procedure: To a solution of alkoxybenzylalcohol 1 (0.2 mmol) in CF3CH2OH (1 mL) were added LiBr·H2O (0.2 mmol) and PhI(OAc)2 (0.2 mmol) atroom temperature. After completion of the reaction as indicated by TLC monitoring, saturated aq. Na2SO3 wasadded and the mixture was extracted with CH2Cl2. The combined organic layers were washed with brine, driedover anhydrous Na2SO4 and then concentrated in vacuo. The residue was purified by silica gel columnchromatography to afford pure monobrominated compounds 2.

Computed Properties

Molecular Weight:217.06
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:215.97859
Monoisotopic Mass:215.97859
Topological Polar Surface Area:29.5
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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