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1-isocyanato-4-methyl-2-nitrobenzene

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

CAS No:
57910-98-2
Formula:
C8H6N2O3
Chemical Name:
1-isocyanato-4-methyl-2-nitrobenzene
Synonyms:
4-Methyl-2-nitrophenyl isocyanate; 2-Nitro-para-tolyl isocyanate; 4-Methyl-2-nitro-phenylisocyanat; 4-methyl-2-nitrobenzenisocyanate; 2-Nitro-4-methyl-phenylcarbonimid;
Categories:
Organic Chemistry > Nitro Compounds

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

Molecular Weight：

178.14500

Exact Mass：

178.03784206 g/mol

DSSTox ID：

DTXSID30339370

Characteristics

PSA：

75.25000

XLogP3：

2.39370

Density：

1.27g/cm3

Melting Point：

57-61ºC

Boiling Point：

303ºC at 760 mmHg

Flash Point：

>230 °F

Refractive Index：

1.578

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811

hazard class code：

R20/21/22; R36/37/38; R42

safety instructions：

S22-S26-S36/37/39-S45

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-methyl-2-nitrophenyl isocyanate

Computed Properties

Molecular Weight:178.14
XLogP3:3
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 1-isocyanato-4-methyl-2-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
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