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(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol

(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol structure

CAS No:
80418-13-9
Formula:
C8H6BrF3O
Chemical Name:
(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol
Synonyms:
(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol;(S)-4-Bromo-α-(trifluoromethyl)benzenemethanol;(S)-α-(Trifluoromethyl)-4-bromobenzenemethanol;(αS)-α-(Trifluoromethyl)-4-bromobenzenemethanol;[S,(+)]-p-Bromo-α-(trifluoromethyl)benzyl alcohol;(S)-2,2,2-Trifluoro-1-(4-bromophenyl)ethanol;(αS)-4-Bromo-α-(trifluoromethyl)benzenemethanol,99%e.e.;Benzenemethanol, 4-bromo-α-(trifluoromethyl)-, (αS)-

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(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol Basic Attributes

Molecular Weight：

255.03

Exact Mass：

253.95541

DSSTox ID：

DTXSID70505335

Characteristics

PSA：

20.23000

XLogP3：

3.04480

Density：

1.665±0.06 g/cm3

Melting Point：

54-56 °C

Boiling Point：

282.8±40.0 °C(Predicted)

PKA：

11.68±0.10

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:255.03
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:253.95541
Monoisotopic Mass:253.95541
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:163
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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