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2-Chloro-4-nitropyridine

2-Chloro-4-nitropyridine structure

CAS No:
23056-36-2
Formula:
C5H3ClN2O2
Chemical Name:
2-Chloro-4-nitropyridine
Synonyms:
OTAVA-BB BB7017520053;AURORA 23245;AKOS BBS-00001358;2-CHLORO-4-NITROPYRIDINE;(2-CHLOROPYRIDIN-4-YL)(HYDROXY)OXOAMMONIUM;2-chloro-4-nitropyrine;2-Chloro-4-nitropyridine ,98%;2-Chloro-4-nitropyri
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow powder

2-Chloro-4-nitropyridine Basic Attributes

Molecular Weight：

158.54

Exact Mass：

157.988312

BRN：

120418

EC Number：

-0

DSSTox ID：

DTXSID50352743

HScode：

2933399090

Characteristics

PSA：

58.7

XLogP3：

1.6

Appearance：

Light yellow powder

Density：

1.5±0.1 g/cm3

Melting Point：

52-56 °C(lit.)

Boiling Point：

258.4°C at 760 mmHg

Flash Point：

223 °F

Refractive Index：

1.587

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

UN2811

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (97.83%): 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|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-chloro-4-nitropyridine

2-Chloro-4-nitropyridine Use and Manufacturing

Methods of Manufacturing

Reference Example 17: 2-Chloro-4-nitro-pyridine. Phosphorus trichloride (4.2 mL, 48.7 mmol) was-added_to a solution of 2- chloro-4-nitro-pyridine-l -oxide (1.70 g, 9.74 mmol) in dry chloroform (25 mL) at r.t.The reaction mixture was then heated to reflux and maintained at this temperature overnight. The reaction was cooled to r.t. then poured onto ice, basified to between pH7-8 with saturated aq. sodium bicarbonate solution and extracted with chloroform (x 2).The combined organic phase was washed with water and brine, dried over sodium sulfate and concentrated. Drying under high vacuum afforded 2-chloro-4-nitro-pyridine(1.2 g, 78 percent) as a solid.

Uses

2-Chloro-4-nitropyridine is used in the preparation of (thio)barbituric acid derivatives in the treatment of obesity related non-alcoholic fatty liver disease. As well it is used in the production of selective and potent MET Kinase inhibitors.

Computed Properties

Molecular Weight:158.54
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Exact Mass:157.9883050
Monoisotopic Mass:157.9883050
Topological Polar Surface Area:58.7
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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