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3-(Trifluoromethyl)benzeneethanol

3-(Trifluoromethyl)benzeneethanol structure

CAS No:
455-01-6
Formula:
C9H9F3O
Chemical Name:
3-(Trifluoromethyl)benzeneethanol
Synonyms:
Benzeneethanol,3-(trifluoromethyl)-;Phenethyl alcohol,m-(trifluoromethyl)-;3-(Trifluoromethyl)benzeneethanol;2-[m-(Trifluoromethyl)phenyl]ethanol;3-(Trifluoromethyl)phenethyl alcohol;2-[3-(Trifluoromethyl)phenyl]ethanol;2-[3-(Trifluoromethyl)phenyl]ethyl alcohol;NSC 43028;3-Trifluoromethylbenzeneethanol;2-[3-(Trifluoromethyl)phenyl]ethan-1-ol

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Description

clear colorless to slightly yellow liquid

3-(Trifluoromethyl)benzeneethanol Basic Attributes

Molecular Weight：

190.16

Exact Mass：

190.16

EC Number：

207-233-9

NSC Number：

43028

DSSTox ID：

DTXSID20196530

HScode：

2906299090

Characteristics

PSA：

20.2

XLogP3：

2.4

Density：

1.2608 g/cm³ @ Temp: 20 °C

Boiling Point：

85-90 °C @ Press: 4 Torr

Flash Point：

85.0±0.0 °C

Refractive Index：

1.464

Vapor Pressure：

0.0796mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

3-(Trifluoromethyl)benzeneethanol Use and Manufacturing

General procedure: DIAD (0.65mL, 3.31mmol) was added dropwise to 12a or 12b (500mg, 2.21mmol), PPh3 (869mg, 3.31mmol) and appropriate alcohol [2-phenylethanol (0.27mL, 2.21mmol, 2e; or 0.17mL, 1.46mmol, 2k), 2-(3-methoxyphenyl)ethanol (0.31mL, 2.21mmol, 2f; 0.20mL, 1.46mmol, 2l), or

Computed Properties

Molecular Weight:190.16
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:190.06054939
Monoisotopic Mass:190.06054939
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Trifluoromethyl)benzeneethanol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

3-(Trifluoromethyl)benzeneethanol

SDS

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