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2,4-DICHLORO-3-CYANOPYRIDINE

2,4-DICHLORO-3-CYANOPYRIDINE structure

CAS No:
180995-12-4
Formula:
C6H2Cl2N2
Chemical Name:
2,4-DICHLORO-3-CYANOPYRIDINE
Synonyms:
2,4-DICHLORO-3-CYANOPYRIDINE;3-Cyano-2,4-dichloropyridine;2,4-Dichloronicotinonitrile;2,4-Dichloropyridine-3-carbonitrile;2,4-dichloro-3-Pyridinecarbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2,4-DICHLORO-3-CYANOPYRIDINE Basic Attributes

Molecular Weight：

172.99948

Exact Mass：

171.959503

DSSTox ID：

DTXSID00621350

HScode：

2933399090

Characteristics

PSA：

36.7

XLogP3：

2.2

Density：

1.49±0.1 g/cm3(Predicted)

Boiling Point：

293.0±35.0 °C(Predicted)

Flash Point：

131.0±25.9 °C

Refractive Index：

1.587

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

0.00177mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3439

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): 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, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2,4-DICHLORO-3-CYANOPYRIDINE Use and Manufacturing

(111a) 2, 4-dichloronicotinonitrile; A phosphorus oxychloride (0.7 mL) solution of 2-chloro-4-oxo-1, 4-dihydropyridine-3-carbonitrile (238 mg, 1.54 mmol) which was produced in Example 109 (109a) was heated for two hours under reflux. The reaction liquid was concentrated and a sodium hydrogen carbonate aqueous solution (10 mL) was added to the obtained residual substance and extracted with ethyl acetate (10 mL) twice, and the solvent was evaporated under reduced pressure after drying over sodium sulfate. The obtained residue was powderized in hexane and the title compound was obtained (167 mg, yield 63percent). White powder Mp 107-109°C; IR (KBr) ν

Computed Properties

Molecular Weight:173.00
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:171.9595035
Monoisotopic Mass:171.9595035
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,4-DICHLORONICOTINONITRILE, CAS:180995-12-4

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CAS No.: 180995-12-4

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2,4-DICHLORONICOTINONITRILE 180995-12-4

CAS No.: 180995-12-4

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Guide of 2,4-DICHLORO-3-CYANOPYRIDINE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2,4-DICHLORO-3-CYANOPYRIDINE

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