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2-Chloro-3-cyano-4,6-dimethylpyridine

2-Chloro-3-cyano-4,6-dimethylpyridine structure

CAS No:
14237-71-9
Formula:
C8H7ClN2
Chemical Name:
2-Chloro-3-cyano-4,6-dimethylpyridine
Synonyms:
2-CHLORO-3-CYANO-4,6-DIMETHYLPYRIDINE;2-CHLORO-4,6-DIMETHYLNICOTINONITRILE;AKOS BC-3128;AKOS BBS-00002510;BUTTPARK 59\40-61;IFLAB-BB F1371-0162;2-CHLORO-4,6-DIMETHYL-3-PYRIDINECARBONITRILE;2-chloro-4,6-dimethylpyridine-3-carbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White to brown solid

2-Chloro-3-cyano-4,6-dimethylpyridine Basic Attributes

Molecular Weight：

166.61

Exact Mass：

166.029770

BRN：

131348

NSC Number：

10732

DSSTox ID：

DTXSID50278939

HScode：

29333990

Characteristics

PSA：

36.7

XLogP3：

2.3

Appearance：

WHITE TO TAN SOLID, POWDER, CRYSTALS AND/OR CHUNKS

Density：

1.22±0.1 g/cm3(Predicted)

Melting Point：

98-99°C

Boiling Point：

305.3±37.0 °C(Predicted)

Flash Point：

138.5±26.5 °C

Refractive Index：

1.547

Vapor Pressure：

0.000827mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38-41-37/38-25

safety instructions：

26-36/37/39-45

Marks：

Xi,T

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H301-H315-H318-H335

GHS Classification：

|Danger|H301 (86.67%): 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, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-3-cyano-4,6-dimethylpyridine Use and Manufacturing

Step 1: 2-Chloro-3-cyano-4, 6-dimethylpyridine: A stirred mixture of 3-cyano-4, 6-dimethyl- 2-hydroxypyridine (4.35 g, 29.39 mmol) and phosphorous pentachloride (6.92 g, 33.21 mmol) is heated to 120°C. The reaction mixture becomes clear and is stirred for an additional 1 hr. It is then poured onto ice/water (250 mL) and allowed to stand for 30 min. The solution is neutralized with sodium bicarbonate (pH 6) and extracted with dichloromethane (400 mL). The separated organic layer is dried, filtered and concentrated to yield 2-chloro-3-cyano-4, 6- dimethylpyridine (4.60 g, 94percent yield) as a tan solid containing ca 15percent impurity. LC/MS: MS m/e = 167/169 (M + H) ; RT 2.98 min; NMR (CDCl3, 8 ppm) 7.08 (1H, s), 2.57 (3H, s), 2.55 (3H, s).2-Chloro-4, 6-dimethylnicotinonitrile4, 6-Dimethyl-2-oxo-l, 2-dihydropyridine-3-carbonitrile (5g, 34mmol) was added to phosphorus oxychloride (20ml). The reaction was stirred at reflux for 2 h, after which it was seen complete. Volatiles were removed and the residue triturated with petrol.The resultant solid was filtered off and washed with hexane, and dried to give a pure white solid (5.1g, 90percent). δ4, 6-Dimethyl-2-oxo-l, 2-dihydropyridine-3-carbonitrile

Computed Properties

Molecular Weight:166.61
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Exact Mass:166.0297759
Monoisotopic Mass:166.0297759
Topological Polar Surface Area:36.7
Heavy Atom Count:11
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Chloro-3-cyano-4,6-dimethylpyridine

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
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2-Chloro-3-cyano-4,6-dimethylpyridine

CAS No.: 14237-71-9

Content: 99.00%

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Hangzhou Royalchem Co.,LTD Contact Supplier

CN
YRS

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Trader Supplier of Pharmaceutical intermediates

2-Chloro-3-cyano-4,6-dimethylpyridine RC07174

Unit Price: nullnull /null null

CAS No.: 14237-71-9

Grade: Industrial Grade

Content: 99%

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Hangzhou Zentra Bio-Chemical Co., Ltd. Contact Supplier

CN
YRS

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Trader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic Acid

2-Chloro-3-cyano-4,6-dimethylpyridine 14237-71-9

CAS No.: 14237-71-9

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 2-Chloro-3-cyano-4,6-dimethylpyridine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Chloro-3-cyano-4,6-dimethylpyridine

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