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1-Chloro-2-isothiocyanato-4-nitrobenzene

1-Chloro-2-isothiocyanato-4-nitrobenzene structure

CAS No:
57135-68-9
Formula:
C7H3ClN2O2S
Chemical Name:
1-Chloro-2-isothiocyanato-4-nitrobenzene
Synonyms:
Benzene,1-chloro-2-isothiocyanato-4-nitro-;1-Chloro-2-isothiocyanato-4-nitrobenzene;2-Chloro-5-nitrophenyl isothiocyanate

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1-Chloro-2-isothiocyanato-4-nitrobenzene Basic Attributes

Molecular Weight：

214.63

Exact Mass：

214.63

EC Number：

260-586-0

DSSTox ID：

DTXSID20205772

HScode：

2930909090

Characteristics

PSA：

90.3

XLogP3：

3.50570

Density：

1.48 g/cm3

Melting Point：

67 °C

Boiling Point：

351.3ºC at 760 mmHg

Flash Point：

166.2ºC

Refractive Index：

1.651

Safety Information

Hazard category：

IRRITANT-HARMFUL

Transport codes：

3261

hazard class code：

safety instructions：

23-26-36/37/39-45

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

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:214.63
XLogP3:3.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:213.9603762
Monoisotopic Mass:213.9603762
Topological Polar Surface Area:90.3
Heavy Atom Count:13
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Chloro-2-isothiocyanato-4-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Chloro-2-isothiocyanato-4-nitrobenzene

SDS

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