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1-Isocyanato-4-methoxy-2-nitrobenzene

1-Isocyanato-4-methoxy-2-nitrobenzene structure

CAS No:
117162-85-3
Formula:
C8H6N2O4
Chemical Name:
1-Isocyanato-4-methoxy-2-nitrobenzene
Synonyms:
4-Methoxy-2-nitrophenyl isocyanate;

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1-Isocyanato-4-methoxy-2-nitrobenzene Basic Attributes

Molecular Weight：

194.14400

Exact Mass：

194.03275668

DSSTox ID：

DTXSID00403193

HScode：

2929109000

Characteristics

PSA：

84.48000

XLogP3：

2.09390

Density：

1.33g/cm3

Melting Point：

79-82ºC(lit.)

Boiling Point：

330.1ºC at 760 mmHg

Flash Point：

153.4ºC

Refractive Index：

1.566

Vapor Pressure：

0.00017mmHg at 25°C

Safety Information

hazard class code：

R20/21/22

safety instructions：

S22

Marks：

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:194.14
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:194.03275668
Monoisotopic Mass:194.03275668
Topological Polar Surface Area:84.5
Heavy Atom Count:14
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Isocyanato-4-methoxy-2-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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