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2-Chloro-3-nitropyridine

2-Chloro-3-nitropyridine structure

CAS No:
5470-18-8
Formula:
C5H3ClN2O2
Chemical Name:
2-Chloro-3-nitropyridine
Synonyms:
Pyridine,2-chloro-3-nitro-;2-Chloro-3-nitropyridine;3-Nitro-2-chloropyridine;NSC 26279
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

yellow crystalline powder

2-Chloro-3-nitropyridine Basic Attributes

Molecular Weight：

158.54

Exact Mass：

158.54

BRN：

124482

EC Number：

226-799-8

NSC Number：

26279

DSSTox ID：

DTXSID2063929

HScode：

29333999

Characteristics

PSA：

58.7

XLogP3：

1.6

Appearance：

Yellow Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

108-109 °C

Boiling Point：

260.3°C at 760 mmHg

Flash Point：

185°C

Refractive Index：

1.587

Storage Conditions：

Room temperature.

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 2811

wgk germany：

hazard class code：

20/22-36/37/38-22

safety instructions：

22-24/25-37/39-26-36

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H319-H335

GHS Classification：

|Danger|H301 (82.98%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-3-nitropyridine Use and Manufacturing

Methods of Manufacturing

Weighing 3-nitropyridine-2-carboxylic acid (50.4 mg, 0.3 mmol), Sodium carbonate (64.0 mg, 0.6 mmol), NaCl (17.6 mg, 0.3 mmol), tert-butyl hypochlorite (32 μL, 0.3 mmol) into a 25 mL of Schlenk reaction bottle, Then CH2Cl2 (3 mL) was added and placed in a 25 °C oil bath for 20 h. After completion of the reaction, the solvent was removed under reduced pressure and eluted with petroleum ether / ethyl acetate.The solvent was separated on a silica gel column, The yield of 2-chloro-3-nitropyridine was 58percent.

Uses

Pharmaceutical intermediates.

Manufacturing Info：

Pyridine, 2-chloro-3-nitro-: ACTIVE

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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