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1-[4-(1,1-Dimethylethyl)phenyl]-2,2,2-trifluoroethanone

1-[4-(1,1-Dimethylethyl)phenyl]-2,2,2-trifluoroethanone structure

CAS No:
73471-97-3
Formula:
C12H13F3O
Chemical Name:
1-[4-(1,1-Dimethylethyl)phenyl]-2,2,2-trifluoroethanone
Synonyms:
Ethanone,1-[4-(1,1-dimethylethyl)phenyl]-2,2,2-trifluoro-;1-[4-(1,1-Dimethylethyl)phenyl]-2,2,2-trifluoroethanone;(p-Tert-Butyl)trifluoroacetophenone;4-tert-Butyl-α,α,α-trifluoroacetophenone;α,α,α-Trifluoro-p-tert-butylacetophenone;1-(4-tert-Butylphenyl)-2,2,2-trifluoroethanone;1-(4-(tert-Butyl)phenyl)-2,2,2-trifluoroethanone;1-(4-tert-Butylphenyl)-2,2,2-trifluoroethan-1-one

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1-[4-(1,1-Dimethylethyl)phenyl]-2,2,2-trifluoroethanone Basic Attributes

Molecular Weight：

230.22600

Exact Mass：

230.23

DSSTox ID：

DTXSID40373846

Characteristics

PSA：

17.07000

XLogP3：

3.72910

Density：

1.128g/cm3

Melting Point：

38-42 °C

Boiling Point：

108 °C @ Press: 13 Torr

Flash Point：

128.2ºC

Refractive Index：

1.452

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Marks：

Computed Properties

Molecular Weight:230.23
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:230.09184952
Monoisotopic Mass:230.09184952
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(1,1-Dimethylethyl)phenyl]-2,2,2-trifluoroethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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