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1-Chloro-4-isothiocyanato-2-nitrobenzene

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

CAS No:
127142-66-9
Formula:
C7H3ClN2O2S
Chemical Name:
1-Chloro-4-isothiocyanato-2-nitrobenzene
Synonyms:
Benzene,1-chloro-4-isothiocyanato-2-nitro-;1-Chloro-4-isothiocyanato-2-nitrobenzene;4-Chloro-3-nitrophenyl isothiocyanate

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

Molecular Weight：

214.63

Exact Mass：

214.63

BRN：

2727312

EC Number：

-0

DSSTox ID：

DTXSID20155440

HScode：

2930909090

Characteristics

PSA：

90.3

XLogP3：

3.50570

Density：

1.48±0.1 g/cm3(Predicted)

Melting Point：

64 °C

Boiling Point：

340.2±27.0 °C(Predicted)

Flash Point：

159.6ºC

Refractive Index：

1.651

Vapor Pressure：

0.000172mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

hazard class code：

R23/24/25;R36/37/38

safety instructions：

S26-S36/37/39-S45

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P337+P313, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:214.63
XLogP3:3.7
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-4-isothiocyanato-2-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Chloro-4-isothiocyanato-2-nitrobenzene

SDS

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