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

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

CAS No:
16588-70-8
Formula:
C8H3F3N2O3
Chemical Name:
1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene
Synonyms:
Benzene,1-isocyanato-2-nitro-4-(trifluoromethyl)-;Isocyanic acid,α,α,α-trifluoro-2-nitro-p-tolyl ester;1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene;2-Nitro-4-(trifluoromethyl)phenyl isocyanate

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

Molecular Weight：

232.11600

Exact Mass：

232.12

DSSTox ID：

DTXSID30408015

HScode：

2929109000

Characteristics

PSA：

75.25000

XLogP3：

3.10410

Density：

1.531g/mL

Boiling Point：

104-105 °C @ Press: 5 Torr

Flash Point：

>230ºF

Refractive Index：

n20/D 1.518(lit.)

Vapor Pressure：

0.00981mmHg at 25°C

Safety Information

hazard class code：

R20/21/22

safety instructions：

S23

Marks：

Computed Properties

Molecular Weight:232.12
XLogP3:2.9
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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Guide of 1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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