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Home > Encyclopedia > Benzoic acid, 2-broMo-3-(trifluoroMethyl)-

Benzoic acid, 2-broMo-3-(trifluoroMethyl)-

Benzoic acid, 2-broMo-3-(trifluoroMethyl)- structure

Benzoic acid, 2-broMo-3-(trifluoroMethyl)- 

structure
  • CAS No:

    177420-63-2

  • Formula:

    C8H4BrF3O2

  • Chemical Name:

    Benzoic acid, 2-broMo-3-(trifluoroMethyl)-

  • Synonyms:

    2-Bromo-3-(trifluoromethyl)benzoic acid;Benzoic acid, 2-bromo-3-(trifluoromethyl)-;SCHEMBL2479099;CTK7I8798;KS-00000IEG;DTXSID10570628;2-Bromo-3-trifluoromethylbenzoicacid;ANW-53934;MFCD08532493;ZINC16159336

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Benzoic acid, 2-broMo-3-(trifluoroMethyl)- Basic Attributes

269.0153696

267.934662

DTXSID10570628

Characteristics

37.3

3

Solid

1.8±0.1 g/cm3

127.0±27.3 °C

1.517

Slightly soluble in water.

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:269.01
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:267.93468
Monoisotopic Mass:267.93468
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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