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2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile structure

CAS No:
13600-42-5
Formula:
C7HCl2F3N2
Chemical Name:
2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile
Synonyms:
3-Cyano-2,6-dichloro-4-(trifluoomethyl)pyridine;2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile 98%;3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine, 2,6-Dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile;2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine;2,6-dichloro-4-((trifluoromethyl))-pyridin-3-carbonitrile;2,6-DICHLORO-4-(TRIFLUOROMETHYL)NICOTINONITRILE;3-CYANO-2,6-DICHLORO-4-(TRIFLUOROMETHYL)PYRIDINE;IFLAB-BB F2108-0099
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

yellow powder

2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile Basic Attributes

Molecular Weight：

241

Exact Mass：

239.946884

EC Number：

1312995-182-4

DSSTox ID：

DTXSID50371555

HScode：

2933399090

Characteristics

PSA：

36.7

XLogP3：

3.4

Appearance：

white solid

Density：

1.63±0.1 g/cm3(Predicted)

Melting Point：

38 °C

Boiling Point：

282.4±35.0 °C(Predicted)

Flash Point：

124.6±25.9 °C

Refractive Index：

1.505

Vapor Pressure：

0.0461mmHg at 25°C

Safety Information

Hazard category：

TOXIC

Transport codes：

3439

hazard class code：

20/21/22-36/37/38

safety instructions：

22-26-36/37/39

Marks：

T,Xi,Xn

Hazard note：

Toxic

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

GHS Classification：

|Danger|H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile Use and Manufacturing

500ml round bottom flask, 84.5 g (414 mmol) of 2, 6-dihydroxy-3-cyano-4-(trifluoromethyl) pyridine, 400 grams of phosphorus oxychloride, 35 grams of catalyst, heated to reflux 20 h, central control raw material reaction is complete, change the reflux device for the distillation unit to steal excess phosphorus oxychloride, Pour into ice-water mixture, precipitated solid, dried to give white solid 79.6g, yield 79.78percent.

Computed Properties

Molecular Weight:240.99
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Exact Mass:239.9468879
Monoisotopic Mass:239.9468879
Topological Polar Surface Area:36.7
Heavy Atom Count:14
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

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Guide of 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

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