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Home > Encyclopedia > 1-isocyanato-2-methyl-4-nitrobenzene

1-isocyanato-2-methyl-4-nitrobenzene

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

1-isocyanato-2-methyl-4-nitrobenzene 

structure
  • CAS No:

    56309-59-2

  • Formula:

    C8H6N2O3

  • Chemical Name:

    1-isocyanato-2-methyl-4-nitrobenzene

  • Synonyms:

    4-isocyanato-3-methyl-1-nitro-benzene; 2-Methyl-4-nitro-phenylisocyanat; 2-methyl-4-nitrobenzenisocyanate; 4-Nitro-2-methyl-phenylcarbonimid; 2-Methyl-4-nitrophenyl isocyanate;

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

178.14500

178.03784206

DTXSID40401678

2929109000

Characteristics

75.25000

2.39370

1.27g/cm3

81-84ºC

168ºC(23 torr)

1.578

Safety Information

III

6.1

UN 2811

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

S22-S26-S36/37/39-S45

Xn

|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 42 companies from 2 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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