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3-Trifluoromethylphenylboronic acid

3-Trifluoromethylphenylboronic acid structure

3-Trifluoromethylphenylboronic acid 

structure
  • CAS No:

    1423-26-3

  • Formula:

    C7H6BF3O2

  • Chemical Name:

    3-Trifluoromethylphenylboronic acid

  • Synonyms:

    Boronic acid,B-[3-(trifluoromethyl)phenyl]-;m-Tolueneboronic acid,α,α,α-trifluoro-;Boronic acid,[3-(trifluoromethyl)phenyl]-;B-[3-(Trifluoromethyl)phenyl]boronic acid;3-Trifluoromethylphenylboronic acid;3-(Trifluoromethyl)benzeneboronic acid;[1-(Trifluoromethyl)phenyl-3-yl]boronic acid;(3-(Trifluormomethyl)phenyl)boronic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

3-Trifluoromethylphenylboronic acid Basic Attributes

189.93

189.93

DTXSID20370277

2931900090

Characteristics

40.5

1.4±0.1 g/cm3

163-166 °C(lit.)

268.2°C at 760 mmHg

116.0±30.1 °C

1.462

Safety Information

NONH for all modes of transport

3

R36/37/38

S22-S24/25

Xi:Irritant

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|H315 (99%): 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 100 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

3-(Trifluoromethyl)phenylboronic acid

Computed Properties

Molecular Weight:189.93
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:190.0412941
Monoisotopic Mass:190.0412941
Topological Polar Surface Area:40.5
Heavy Atom Count:13
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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