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3,5-DICHLORO-4-PYRIDINECARBONITRILE

3,5-DICHLORO-4-PYRIDINECARBONITRILE structure

CAS No:
153463-65-1
Formula:
C6H2Cl2N2
Chemical Name:
3,5-DICHLORO-4-PYRIDINECARBONITRILE
Synonyms:
3,5-DICHLOROISONICOTINONITRILE;3,5-DICHLORO-4-PYRIDINECARBONITRILE;4-Cyano-3,5-dichloropyridine;3,5-dichloropyridine-4-carbonitrile;3,5-Dichloro-4-pyridinecarbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3,5-DICHLORO-4-PYRIDINECARBONITRILE Basic Attributes

Molecular Weight：

173

Exact Mass：

171.96000

DSSTox ID：

DTXSID80456526

HScode：

2933399090

Characteristics

PSA：

36.7

XLogP3：

1.8

Density：

1.49±0.1 g/cm3(Predicted)

Melting Point：

115-119 °C(lit.)

Boiling Point：

266.2±35.0 °C(Predicted)

Safety Information

Packing level：

Ⅲ

Hazard category：

IRRITANT

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

22-37/38-41-43

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H317-H318-H335

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, 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.

3,5-DICHLORO-4-PYRIDINECARBONITRILE Use and Manufacturing

3, 5-dichloro-4-pyridinecarboxaldehyde; A mixture of 3, 5-dichloro-4-pyridinecarboxaldehyde (10.0 g, 57.1 mrnol), hydroxylamine hydrochloride (5.25 g 76 mmol), formic acid (50 ml) and HGeneral procedure: Step 1: To a solution of 3, 5-dimethylpyridine-4-carbonitrile (1.2 M in DMF), triethylamine (2 equiv.) and the desired secondary amine (1-2 equiv.) is added and the solution is stirred overnight at 25-40 C. After cooling, volatiles are removed under reduced pressure and the residue redissolved in a minimum amount of methylene chloride and loaded directly onto a silica gel column. The desired aminopyridine intermediate (1) is eluted with either hexanes/ethyl acetate or methanol/methylene chloride.

Computed Properties

Molecular Weight:173.00
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:171.9595035
Monoisotopic Mass:171.9595035
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,5-Dichloro-4-pyridinecarbonitrile

CAS No.: 153463-65-1

Content: 99.00%

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CAS No.: 153463-65-1

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3,5-DICHLORO-4-PYRIDINECARBONITRILE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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3,5-DICHLORO-4-PYRIDINECARBONITRILE

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