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1-Chloro-2-(isothiocyanatomethyl)benzene

1-Chloro-2-(isothiocyanatomethyl)benzene structure

CAS No:
18967-44-7
Formula:
C8H6ClNS
Chemical Name:
1-Chloro-2-(isothiocyanatomethyl)benzene
Synonyms:
Benzene,1-chloro-2-(isothiocyanatomethyl)-;Isothiocyanic acid,o-chlorobenzyl ester;Toluene,o-chloro-α-isothiocyanato-;1-Chloro-2-(isothiocyanatomethyl)benzene;2-Chlorobenzyl isothiocyanate;o-Chlorobenzyl isothiocyanate;NSC 221237

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1-Chloro-2-(isothiocyanatomethyl)benzene Basic Attributes

Molecular Weight：

183.66

Exact Mass：

183.66

EC Number：

670-490-4

UNII：

8JLA99K9EB

NSC Number：

221237

DSSTox ID：

DTXSID30172380

Characteristics

PSA：

44.4 Å²

Density：

1.282 g/cm³ @ Temp: 20 °C

Boiling Point：

94-98 °C @ Press: 0.23 Torr

Refractive Index：

1.6140

Water Solubility：

It hydrolyzes in water.

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2810

RTECS Number：

NX8460000

Marks：

Computed Properties

Molecular Weight:183.66
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:182.9909481
Monoisotopic Mass:182.9909481
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Chloro-2-(isothiocyanatomethyl)benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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