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5-(TRIFLUOROMETHYL)NICOTINONITRILE

5-(TRIFLUOROMETHYL)NICOTINONITRILE structure

CAS No:
951624-83-2
Formula:
C7H3F3N2
Chemical Name:
5-(TRIFLUOROMETHYL)NICOTINONITRILE
Synonyms:
5-(TRIFLUOROMETHYL)NICOTINONITRILE;5-(Trifluoromethyl)nicotinonitrile, 95+%;3-Pyridinecarbonitrile, 5-(trifluoroMethyl)-;5-(Trifluoromethyl)pyridine-3-carbonitrile ;3-Cyano-5-(trifluoromethyl)-pyridine

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5-(TRIFLUOROMETHYL)NICOTINONITRILE Basic Attributes

Molecular Weight：

172.11

Exact Mass：

172.02483259

DSSTox ID：

DTXSID00651258

Characteristics

Density：

1.37±0.1 g/cm3

Melting Point：

46-47°C

Boiling Point：

204.4±35.0 °C(Predicted)

PKA：

-0?+-.0.20

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

25-37/38-41

safety instructions：

7/9-22-24/25-26-36/37/39-45-51

Marks：

Xi,T

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, 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:172.11
XLogP3:1.5
Hydrogen Bond Acceptor Count:5
Exact Mass:172.02483259
Monoisotopic Mass:172.02483259
Topological Polar Surface Area:36.7
Heavy Atom Count:12
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(TRIFLUOROMETHYL)NICOTINONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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