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4-CHLORO-2-NITROPYRIDINE

4-CHLORO-2-NITROPYRIDINE structure

CAS No:
65370-42-5
Formula:
C5H3ClN2O2
Chemical Name:
4-CHLORO-2-NITROPYRIDINE
Synonyms:
4-CHLORO-2-NITROPYRIDINE;4-Chloro-2-nitropyridine97%;4-CHLORO-2-NITROPYRIDINE 97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-CHLORO-2-NITROPYRIDINE Basic Attributes

Molecular Weight：

158.54

Exact Mass：

157.988312

DSSTox ID：

DTXSID70376507

HScode：

2933399090

Characteristics

PSA：

58.7

XLogP3：

1.3

Density：

1.5±0.1 g/cm3

Boiling Point：

267.6°C at 760 mmHg

Flash Point：

115.6±21.8 °C

Refractive Index：

1.587

Safety Information

GHS Classification：

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-CHLORO-2-NITROPYRIDINE Use and Manufacturing

To a stirred solution of 5-amino-3-(5-chloro-2-fluorophenyl)-6- isopropylpyridin-2(lH)-one (0.580 g, 2.06 mmol, 1.0 eq) and To a suspension of compound B5 (4.00 g, 25.2 mmol) and Cs2C03 (16.4 g, 50.5 mmol) in DMF (50 mL) was added 3-cyanophenol (3.16 g, 26.5 mmol), the mixture was stirred at 60C for 17 hours to give a brown suspension. Crude LCMS (RT: 1.384 min) showed the reaction was completed. The mixture was poured into water (400 mL), a lot of white solid appeared, filtered, the filter cake was washed with water (30 mL x 3) to give the crude product. The crude product was purified by Combi flash to give 1.00 g of compound B6 as a yellow powder.

Computed Properties

Molecular Weight:158.54
XLogP3:1.3
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