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2-isocyanato-4-methyl-1-nitrobenzene

2-isocyanato-4-methyl-1-nitrobenzene structure

CAS No:
152645-33-5
Formula:
C8H6N2O3
Chemical Name:
2-isocyanato-4-methyl-1-nitrobenzene
Synonyms:
Benzene,2-isocyanato-4-methyl-1-nitro; 5-Methyl-2-nitrophenyl isocyanate;

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

Molecular Weight：

178.14500

Exact Mass：

178.03784206

DSSTox ID：

DTXSID40404780

HScode：

2929109000

Characteristics

PSA：

75.25000

XLogP3：

2.39370

Density：

1.27g/cm3

Boiling Point：

305ºC at 760 mmHg

Flash Point：

110ºC

Refractive Index：

1.578

Vapor Pressure：

0.000842mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26

Marks：

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, 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:178.14
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:178.03784206
Monoisotopic Mass:178.03784206
Topological Polar Surface Area:75.2
Heavy Atom Count:13
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Safety Information
Computed Properties

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