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3-Nitro-4-pyridinol

3-Nitro-4-pyridinol structure

CAS No:
5435-54-1
Formula:
C5H4N2O3
Chemical Name:
3-Nitro-4-pyridinol
Synonyms:
4-Pyridinol,3-nitro-;3-Nitro-4-pyridinol;4-Hydroxy-3-nitropyridine;3-Nitro-4-hydroxypyridine;NSC 21465;3-Nitro-1H-pyridin-4-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow crystalline powder

3-Nitro-4-pyridinol Basic Attributes

Molecular Weight：

140.1

Exact Mass：

140.10

BRN：

1072928

EC Number：

-0

NSC Number：

155707|21465

HScode：

2933399090

Characteristics

PSA：

74.9

XLogP3：

0.2

Appearance：

Yellow crystalline solid

Density：

1.5±0.1 g/cm3

Melting Point：

284 °C (decomp)

Boiling Point：

480.8°C at 760 mmHg

Flash Point：

184.9±22.3 °C

Refractive Index：

1.623

Vapor Pressure：

2.1E-09mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, IRRITANT-HARMFUL

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-36/37/39-22

Marks：

Hazard note：

Toxic

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Nitro-4-pyridinol Use and Manufacturing

Pyridin-4-ol 29 (300g, 3.15mol, 1wt) was charged portionwise to concentrated sulphuric acid (1500mL, 5vol) in a 20000mL flask under an atmosphere of nitrogen. The nitrating mixture was prepared by the cautious addition of concentrated sulphuric acid to concentrated nitric acid with stirring. The nitrating mixture was then carefully charged to the 20000mL reactor. The reaction mixture was heated at 60Step 1:

Computed Properties

Molecular Weight:140.10
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:140.02219199
Monoisotopic Mass:140.02219199
Topological Polar Surface Area:74.9
Heavy Atom Count:10
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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