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4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE

4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE structure

CAS No:
320-47-8
Formula:
C8H3F3N2O2
Chemical Name:
4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE
Synonyms:
4-Nitro-2-(trifluoromethyl)benzonitrile;2-Cyano-5-nitrobenzotrifluoride;2-(trifluoromethyl)-4-nitrobenzonitrile;Benzonitrile, 4-nitro-2-(trifluoromethyl)-;4-nitro-2-(trifluoromethyl)benzenecarbonitrile;2-trifluoromethyl-4-nitrobenzonitrile;PubChem4821;ACMC-1CTUY;SCHEMBL2853583;CTK4G8124
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white to light yellow crystal powder

4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE Basic Attributes

Molecular Weight：

216.12

Exact Mass：

216.014664

BRN：

2281014

EC Number：

-0

DSSTox ID：

DTXSID50379692

HScode：

29269090

Characteristics

PSA：

69.6

XLogP3：

2.4

Appearance：

white to light yellow crystal powder

Density：

1.5±0.1 g/cm3

Melting Point：

49-53 °C(lit.)

Boiling Point：

297.7ºC at 760mmHg

Flash Point：

>230 °F

Refractive Index：

1.499

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Xi,T

Hazard note：

Harmful

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H302 (11.36%): 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, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:216.12
XLogP3:2.4
Hydrogen Bond Acceptor Count:6
Exact Mass:216.01466183
Monoisotopic Mass:216.01466183
Topological Polar Surface Area:69.6
Heavy Atom Count:15
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE

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