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5-Fluoro-2-nitrobenzeneacetonitrile

5-Fluoro-2-nitrobenzeneacetonitrile structure

CAS No:
3456-75-5
Formula:
C8H5FN2O2
Chemical Name:
5-Fluoro-2-nitrobenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,5-fluoro-2-nitro-;Acetonitrile,(5-fluoro-2-nitrophenyl)-;5-Fluoro-2-nitrobenzeneacetonitrile;(5-Fluoro-2-nitrophenyl)acetonitrile;2-(5-Fluoro-2-nitrophenyl)acetonitrile

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5-Fluoro-2-nitrobenzeneacetonitrile Basic Attributes

Molecular Weight：

180.13600

Exact Mass：

180.14

DSSTox ID：

DTXSID20188096

HScode：

2926909090

Characteristics

PSA：

69.61000

XLogP3：

2.32318

Density：

1.367g/cm3

Melting Point：

64-65 °C

Boiling Point：

303.6ºC at 760mmHg

Flash Point：

137.4ºC

Refractive Index：

1.554

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:180.14
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:180.03350557
Monoisotopic Mass:180.03350557
Topological Polar Surface Area:69.6
Heavy Atom Count:13
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Fluoro-2-nitrobenzeneacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-Fluoro-2-nitrobenzeneacetonitrile

SDS

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