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3-(Trifluoromethyl)benzenemethanol

3-(Trifluoromethyl)benzenemethanol structure

3-(Trifluoromethyl)benzenemethanol 

structure
  • CAS No:

    349-75-7

  • Formula:

    C8H7F3O

  • Chemical Name:

    3-(Trifluoromethyl)benzenemethanol

  • Synonyms:

    Benzenemethanol,3-(trifluoromethyl)-;Benzyl alcohol,m-(trifluoromethyl)-;3-(Trifluoromethyl)benzenemethanol;m-(Trifluoromethyl)benzyl alcohol;3-Hydroxymethylbenzyltrifluoride;3-Trifluoromethylbenzyl alcohol;3-Trifluorobenzyl alcohol;(3-Trifluoromethylphenyl)methanol;185532-92-7

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Colorless to light yellow liqui

3-(Trifluoromethyl)benzenemethanol Basic Attributes

176.14

176.14

206-489-9

DTXSID20188455

2906299090

Characteristics

20.2

2.2

clear colorless to pale yellow liquid

1.2850 g/cm3 @ Temp: 25 °C

68 °C

84.4±0.0 °C

1.463

Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.

Safety Information

3

R36/37/38

S26-S36-S37/39

Xi:Irritant;

P261-P305 + P351 + P338

H315-H319-H335

3-(Trifluoromethyl)benzenemethanol Use and Manufacturing

A solution of (3-Trifluoromethyl-phenyl)-methanol (180 g, 1.0 mol, 1.0 eqiv.) in dichloromethane (1000 mL) was cooled below 10 C. and phosphorus tribromide (360 g, 1.30 mol, 1.3 eqiv.) was added dropwise in 30 minutes. The mixture was stirred overnight and water was added dropwise until no gas was produced. The solution was washed with saturated sodium hydrogen carbonate (2×500 mL) and water (200 mL). The organic layer dried over anhydrous sodium sulfate and concentrated in vacuo to give the title compound as an brown-red liquid (163 g, 67%).

Computed Properties

Molecular Weight:176.14
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:176.04489933
Monoisotopic Mass:176.04489933
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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