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2-(Trifluoromethyl)benzoic acid

2-(Trifluoromethyl)benzoic acid structure

2-(Trifluoromethyl)benzoic acid 

structure
  • CAS No:

    433-97-6

  • Formula:

    C8H5F3O2

  • Chemical Name:

    2-(Trifluoromethyl)benzoic acid

  • Synonyms:

    Benzoic acid,2-(trifluoromethyl)-;o-Toluic acid,α,α,α-trifluoro-;2-(Trifluoromethyl)benzoic acid;α,α,α-Trifluoro-o-toluic acid;o-(Trifluoromethyl)benzoic acid;NSC 88326

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

slightly yellow to yellow-brown crystalline powder


2-(trifluoromethyl)benzoic acid is a benzoic acid carrying a trifluoromethyl substituent at the 2-position. It is a member of benzoic acids and a member of (trifluoromethyl)benzenes.

2-(Trifluoromethyl)benzoic acid Basic Attributes

190.12

190.12

976984

240-989-8

0R1CK7MZUA

88326

2916399090

Characteristics

37.3

1.3

Slightly yellow to yellow-brown Crystalline Powder

1.4±0.1 g/cm3

111 °C

247 °C753 mm Hg(lit.)

247-254°C

1.475

4.8g/L(25 ºC)

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

507mmHg at 25°C

Safety Information

IRRITANT

UN 1549 6.1/PG 3

2

20/22-51/53-36/37/38

61-36-26

Xn,N,Xi

Irritant

Stable at room temperature in closed containers under normal storage and handling conditions.

P261-P305 + P351 + P338

H315-H319-H335

Drug Information

2-(trifluoromethyl)benzoic acid

2-(Trifluoromethyl)benzoic acid Use and Manufacturing

Methods of Manufacturing

The preparation method is to add 2-chloro-trifluoromethylbenzene to the solvent tetrahydrofuran, then add magnesium metal at 55-60°C, add in batches to make Grignard reaction, and then add dry ice (carbon dioxide) in ether Stir the reaction to obtain the finished product.

Uses

O-Trifluoromethyl benzoic acid is an intermediate of the bactericide fluoroamide.

Benzoic acid, 2-(trifluoromethyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:190.12
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:190.02416388
Monoisotopic Mass:190.02416388
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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