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Pyridine, 3-fluoro-4-nitro-, 1-oxide

Pyridine, 3-fluoro-4-nitro-, 1-oxide structure

CAS No:
769-54-0
Formula:
C5H3FN2O3
Chemical Name:
Pyridine, 3-fluoro-4-nitro-, 1-oxide
Synonyms:
Pyridine,3-fluoro-4-nitro-,1-oxide;3-Fluoro-4-nitropyridine N-oxide;3-Fluoro-4-nitropyridine 1-oxide;3-Fluoro-4-nitro-1-oxidopyridin-1-ium;3-Fluoro-4-nitropyridin-1-ium-1-olate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Pyridine, 3-fluoro-4-nitro-, 1-oxide Basic Attributes

Molecular Weight：

158.09

Exact Mass：

158.09

EC Number：

1533716-785-6

DSSTox ID：

DTXSID00344032

Characteristics

PSA：

71.3

XLogP3：

-0.2

Density：

1.56

Melting Point：

122 °C

Boiling Point：

417.9°C at 760 mmHg

Flash Point：

206.5±23.2 °C

Refractive Index：

1.577

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H301 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Pyridine, 3-fluoro-4-nitro-, 1-oxide Use and Manufacturing

Non-radioactive fluorination of 3-bromo-4-nitropyridine N-oxide (8): 10 μL of 1 M TBAF solution in THF (10 μmol, 0.5 eq.) was added to a solution of a 3-bromo-4-nitropyridine N-oxide (98+percent, Alfa Aesar) (20 μmol, 1 eq.) in 500 μL of anhydrous DMSO in a 2 mL HPLC vial. The reaction was analyzed by HPLC (conditions B). Retention times: 3-bromo-4-nitropyridine N-oxide (8)=11.84 min, 3-fluoro-4-nitropyridine N-oxide (9)=7.93 min. Retention time for the product matched within 0.05 min the reference standard.

Computed Properties

Molecular Weight:158.09
XLogP3:-0.2
Hydrogen Bond Acceptor Count:4
Exact Mass:158.01277012
Monoisotopic Mass:158.01277012
Topological Polar Surface Area:71.3
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Fluoro-4-nitropyridine 1-oxide

CAS No.: 769-54-0

Content: 99.00%

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Guide of Pyridine, 3-fluoro-4-nitro-, 1-oxide

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Pyridine, 3-fluoro-4-nitro-, 1-oxide

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