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Home > Encyclopedia > 1-Isocyanato-4-nitro-2-(trifluoromethyl)benzene

1-Isocyanato-4-nitro-2-(trifluoromethyl)benzene

1-Isocyanato-4-nitro-2-(trifluoromethyl)benzene structure

1-Isocyanato-4-nitro-2-(trifluoromethyl)benzene 

structure
  • CAS No:

    16588-73-1

  • Formula:

    C8H3F3N2O3

  • Chemical Name:

    1-Isocyanato-4-nitro-2-(trifluoromethyl)benzene

  • Synonyms:

    Benzene,1-isocyanato-4-nitro-2-(trifluoromethyl)-;Isocyanic acid,α,α,α-trifluoro-4-nitro-o-tolyl ester;1-Isocyanato-4-nitro-2-(trifluoromethyl)benzene

1-Isocyanato-4-nitro-2-(trifluoromethyl)benzene Basic Attributes

232.11600

232.12

DTXSID50408158

2929109000

Characteristics

75.25000

3.10410

1.509g/mL

255-256ºC

111ºF

n20/D 1.5370(lit.)

0.00445mmHg at 25°C

Safety Information

UN 1993 3/PG 3

R10; R20/21/22; R36/37/38

S26; S36

Xn

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, 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:232.12
XLogP3:3.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:232.00957645
Monoisotopic Mass:232.00957645
Topological Polar Surface Area:75.2
Heavy Atom Count:16
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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