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2-CYANOPHENYLISOTHIOCYANATE

2-CYANOPHENYLISOTHIOCYANATE structure

CAS No:
81431-98-3
Formula:
C8H4N2S
Chemical Name:
2-CYANOPHENYLISOTHIOCYANATE
Synonyms:
2-Cyanophenyl isothiocyanate;2-Isothiocyanatobenzonitrile;Benzonitrile,2-isothiocyanato-;2-isothiocyanatobenzenecarbonitrile;2-Isothiocyanatobenzonitrile #;SCHEMBL2482764;Benzonitrile, 2-isothiocyanato-;CTK5E8793;DTXSID90231104;ALBB-017322

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2-CYANOPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

160.19600

Exact Mass：

160.01000

DSSTox ID：

DTXSID90231104

HScode：

2930909090

Characteristics

PSA：

68.24000

XLogP3：

2.29258

Density：

1.12g/cm3

Melting Point：

119ºC

Boiling Point：

325.5ºC at 760mmHg

Flash Point：

150.7ºC

Refractive Index：

1.604

Safety Information

Transport codes：

UN 2811

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:160.20
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:160.00951931
Monoisotopic Mass:160.00951931
Topological Polar Surface Area:68.2
Heavy Atom Count:11
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-CYANOPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-CYANOPHENYLISOTHIOCYANATE

SDS

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