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Home > Encyclopedia > 4-(Trifluoromethyl)mandelic acid

4-(Trifluoromethyl)mandelic acid

4-(Trifluoromethyl)mandelic acid structure

4-(Trifluoromethyl)mandelic acid 

structure
  • CAS No:

    395-35-7

  • Formula:

    C9H7F3O3

  • Chemical Name:

    4-(Trifluoromethyl)mandelic acid

  • Synonyms:

    Benzeneacetic acid,α-hydroxy-4-(trifluoromethyl)-;Mandelic acid,4-(trifluoromethyl)-;α-Hydroxy-4-(trifluoromethyl)benzeneacetic acid;p-(Trifluoromethyl)mandelic acid;4-(Trifluoromethyl)mandelic acid;2-Hydroxy-2-(4-trifluoromethylphenyl)acetic acid;DL-4-(Trifluoromethyl)mandelic acid

Description

white to almost white powder

4-(Trifluoromethyl)mandelic acid Basic Attributes

220.14500

220.15

206-900-1

2918199090

Characteristics

57.53000

1.82340

white to almost white powder

1.481 g/cm3

130-134 °C

324.2ºC at 760 mmHg

149.8ºC

1.502

Safety Information

NONH for all modes of transport

3

R36/37/38

S37/39-S26

Xi: Irritant;

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

H315

Drug Information

4-trifluoromethylmandelic acid

Computed Properties

Molecular Weight:220.14
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:220.03472857
Monoisotopic Mass:220.03472857
Topological Polar Surface Area:57.5
Heavy Atom Count:15
Complexity:231
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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