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3-(Trifluoromethyl)cinnamic acid

3-(Trifluoromethyl)cinnamic acid structure

3-(Trifluoromethyl)cinnamic acid 

structure
  • CAS No:

    779-89-5

  • Formula:

    C10H7F3O2

  • Chemical Name:

    3-(Trifluoromethyl)cinnamic acid

  • Synonyms:

    2-Propenoic acid,3-[3-(trifluoromethyl)phenyl]-;Cinnamic acid,m-(trifluoromethyl)-;3-[3-(Trifluoromethyl)phenyl]-2-propenoic acid;3-(Trifluoromethyl)cinnamic acid;m-(Trifluoromethyl)cinnamic acid;3-(3-Trifluoromethylphenyl)acrylic acid

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

White Solid

3-(Trifluoromethyl)cinnamic acid Basic Attributes

216.16

216.16

1963372

212-301-6

DTXSID8061135

2916399090

Characteristics

37.3

3

white solid

1.4±0.1 g/cm3

136 °C

289.6ºC at 760 mmHg

129.0±25.9 °C

1.526

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38-37/38

26-37/39-37

Xi

Irritant

Stable under normal temperatures and pressures.

P261-P305 + P351 + P338

H315-H319-H335

3-(Trifluoromethyl)cinnamic acid Use and Manufacturing

Uses

Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility.

2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-: INACTIVE

Computed Properties

Molecular Weight:216.16
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:216.03981395
Monoisotopic Mass:216.03981395
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:258
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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