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4-Pyridinecarbonitrile, 1-oxide

4-Pyridinecarbonitrile, 1-oxide structure

CAS No:
14906-59-3
Formula:
C6H4N2O
Chemical Name:
4-Pyridinecarbonitrile, 1-oxide
Synonyms:
4-Pyridinecarbonitrile,1-oxide;Isonicotinonitrile,1-oxide;4-Cyanopyridine N-oxide;4-Cyanopyridine 1-oxide;4-Cyanopyridine oxide;NSC 132883;1-Oxopyridine-4-carbonitrile;1-Oxidopyridin-1-ium-4-carbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Pale-Green Solid

4-Pyridinecarbonitrile, 1-oxide Basic Attributes

Molecular Weight：

120.11

Exact Mass：

120.11

EC Number：

238-974-6

NSC Number：

132883

DSSTox ID：

DTXSID3065827

HScode：

29333990

Characteristics

PSA：

49.2

XLogP3：

-0.94

Appearance：

Pale-Green Solid

Density：

1.14±0.1 g/cm3(Predicted)

Melting Point：

223-225 °C

Boiling Point：

382.7±15.0 °C(Predicted)

Flash Point：

185.3±20.4 °C

Refractive Index：

1.567

Water Solubility：

1 M NH4OH: soluble5mg/mL, clear, colorless (methanol)

Vapor Pressure：

4.63E-06mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-36/37/39-22-36

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Pyridinecarbonitrile, 1-oxide Use and Manufacturing

Uses

Anti-bacterial agent

Manufacturing Info：

4-Pyridinecarbonitrile, 1-oxide: INACTIVE

Computed Properties

Molecular Weight:120.11
XLogP3:-0.9
Hydrogen Bond Acceptor Count:2
Exact Mass:120.032362755
Monoisotopic Mass:120.032362755
Topological Polar Surface Area:49.2
Heavy Atom Count:9
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 14906-59-3

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4-Cyanopyridinium-1-olate

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Guide of 4-Pyridinecarbonitrile, 1-oxide

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-Pyridinecarbonitrile, 1-oxide

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