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1-[3-(trifluoromethylsulfanyl)phenyl]ethanone

1-[3-(trifluoromethylsulfanyl)phenyl]ethanone structure

CAS No:
56773-33-2
Formula:
C9H7F3OS
Chemical Name:
1-[3-(trifluoromethylsulfanyl)phenyl]ethanone
Synonyms:
3'-(Trifluoromethylthio)acetophenone; 1-(3-trifluoromethylsulfanyl-phenyl)-ethanone; 3-Trifluoromethylsulfanylacetophenone; m-Trifluormethylthioacetophenon; PC3821;

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1-[3-(trifluoromethylsulfanyl)phenyl]ethanone Basic Attributes

Molecular Weight：

220.21100

Exact Mass：

220.01697050

DSSTox ID：

DTXSID00380677

HScode：

2930909090

Characteristics

PSA：

42.37000

XLogP3：

3.50110

Density：

1.32g/cm3

Boiling Point：

197.9ºC

Flash Point：

73.5ºC

Refractive Index：

1.503

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:220.21
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:220.01697050
Monoisotopic Mass:220.01697050
Topological Polar Surface Area:42.4
Heavy Atom Count:14
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-(trifluoromethylsulfanyl)phenyl]ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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