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2-Chloro-1-isocyanato-4-[(trifluoromethyl)thio]benzene

2-Chloro-1-isocyanato-4-[(trifluoromethyl)thio]benzene structure

CAS No:
55225-89-3
Formula:
C8H3ClF3NOS
Chemical Name:
2-Chloro-1-isocyanato-4-[(trifluoromethyl)thio]benzene
Synonyms:
Benzene,2-chloro-1-isocyanato-4-[(trifluoromethyl)thio]-;2-Chloro-1-isocyanato-4-[(trifluoromethyl)thio]benzene;2-Chloro-1-isocyanato-4-trifluoromethylsulfanyl-benzene;2-Chloro-4-(trifluoromethylthio)phenyl isocyanate

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2-Chloro-1-isocyanato-4-[(trifluoromethyl)thio]benzene Basic Attributes

Molecular Weight：

253.63

Exact Mass：

253.63

DSSTox ID：

DTXSID40604849

HScode：

2930909090

Characteristics

PSA：

54.7

XLogP3：

3.91920

Density：

1.46g/cm3

Boiling Point：

201.4ºC at 760 mmHg

Flash Point：

75.6ºC

Refractive Index：

1.529

Safety Information

Transport codes：

2206

hazard class code：

20/21/22-23-36/37/38-36-22

safety instructions：

26-36/37/39

Marks：

Computed Properties

Molecular Weight:253.63
XLogP3:5.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:252.9575971
Monoisotopic Mass:252.9575971
Topological Polar Surface Area:54.7
Heavy Atom Count:15
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Chloro-1-isocyanato-4-[(trifluoromethyl)thio]benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Chloro-1-isocyanato-4-[(trifluoromethyl)thio]benzene

SDS

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