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2-Nitro-4-(trifluoromethyl)benzeneacetonitrile

2-Nitro-4-(trifluoromethyl)benzeneacetonitrile structure

CAS No:
13544-06-4
Formula:
C9H5F3N2O2
Chemical Name:
2-Nitro-4-(trifluoromethyl)benzeneacetonitrile
Synonyms:
Benzeneacetonitrile,2-nitro-4-(trifluoromethyl)-;Acetonitrile,(α,α,α-trifluoro-2-nitro-p-tolyl)-;2-Nitro-4-(trifluoromethyl)benzeneacetonitrile;4-Trifluoromethyl-2-nitrobenzeneacetonitrile;(2-Nitro-4-trifluoromethylphenyl)acetonitrile;2-[2-Nitro-4-(trifluoromethyl)phenyl]acetonitrile

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2-Nitro-4-(trifluoromethyl)benzeneacetonitrile Basic Attributes

Molecular Weight：

230.14300

Exact Mass：

230.14

DSSTox ID：

DTXSID30379695

HScode：

2926909090

Characteristics

PSA：

69.61000

XLogP3：

3.20288

Density：

1.429g/cm3

Melting Point：

37-38 °C

Boiling Point：

134-138 °C

Flash Point：

128ºC

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3439

hazard class code：

R20/21/22

safety instructions：

S36/37

Marks：

Computed Properties

Molecular Weight:230.14
XLogP3:2.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:230.03031189
Monoisotopic Mass:230.03031189
Topological Polar Surface Area:69.6
Heavy Atom Count:16
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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