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Home > Encyclopedia > 2-METHYL-5-NITROPHENYL ISOCYANATE

2-METHYL-5-NITROPHENYL ISOCYANATE

2-METHYL-5-NITROPHENYL ISOCYANATE structure

2-METHYL-5-NITROPHENYL ISOCYANATE 

structure
  • CAS No:

    13471-68-6

  • Formula:

    C8H6N2O3

  • Chemical Name:

    2-METHYL-5-NITROPHENYL ISOCYANATE

  • Synonyms:

    2-isocyanato-1-methyl-4-nitrobenzene;

2-METHYL-5-NITROPHENYL ISOCYANATE Basic Attributes

178.14500

178.03784206 g/mol

158457

DTXSID10303473

2929109000

Characteristics

75.25000

2.39370

1.27g/cm3

49-52ºC

299.4ºC at 760mmHg

134.9ºC

1.578

0.0012mmHg at 25°C

Safety Information

III

6.1

UN 2811

R20/21/22; R36/37/38

S26; S36

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
XLogP3:3.4
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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