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1-Chloro-4-isocyanato-2-nitrobenzene

1-Chloro-4-isocyanato-2-nitrobenzene structure

CAS No:
40397-96-4
Formula:
C7H3ClN2O3
Chemical Name:
1-Chloro-4-isocyanato-2-nitrobenzene
Synonyms:
Benzene,1-chloro-4-isocyanato-2-nitro-;Isocyanic acid,4-chloro-3-nitrophenyl ester;1-Chloro-4-isocyanato-2-nitrobenzene;4-Chloro-3-nitrophenyl isocyanate;3-Nitro-4-chlorophenyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

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

Molecular Weight：

198.56

Exact Mass：

198.56

BRN：

2807129

DSSTox ID：

DTXSID10193391

HScode：

2929109000

Characteristics

PSA：

75.2

XLogP3：

3.12

Density：

1.5±0.1 g/cm3

Melting Point：

65 °C

Boiling Point：

306.0±27.0 °C at 760 mmHg

Flash Point：

138.9±23.7 °C

Refractive Index：

1.613

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

hazard class code：

23/24/25-36/37/38-42/43-20/21/22

safety instructions：

22-26-36/37/39-45-36

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P272, P280, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:198.56
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:197.9832197
Monoisotopic Mass:197.9832197
Topological Polar Surface Area:75.2
Heavy Atom Count:13
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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1-Chloro-4-isocyanato-2-nitrobenzene

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