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4-Pyridinecarboxaldehyde, 1-oxide

4-Pyridinecarboxaldehyde, 1-oxide structure

CAS No:
7216-42-4
Formula:
C6H5NO2
Chemical Name:
4-Pyridinecarboxaldehyde, 1-oxide
Synonyms:
4-Pyridinecarboxaldehyde,1-oxide;Isonicotinaldehyde,1-oxide;4-Pyridinecarboxaldehyde N-oxide;4-Formylpyridine N-oxide;1-Oxy-4-pyridinecarboxaldehyde;Pyridine-4-aldehyde N-oxide;N-Oxopyridine-4-carboxaldehyde
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-Pyridinecarboxaldehyde, 1-oxide Basic Attributes

Molecular Weight：

123.11

Exact Mass：

123.11

EC Number：

230-602-0

DSSTox ID：

DTXSID80222501

HScode：

2933399090

Characteristics

PSA：

42.53000

XLogP3：

0.92760

Appearance：

WHITE TO YELLOW POWDER OR CRYSTALS

Density：

1.16 g/cm3

Melting Point：

148-150 °C

Boiling Point：

367.7ºC at 760 mmHg

Flash Point：

176.2ºC

Refractive Index：

1.542

Water Solubility：

methylene chloride: soluble25mg/mL, clear, colorless to yellow

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:123.11
XLogP3:-1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:123.032028402
Monoisotopic Mass:123.032028402
Topological Polar Surface Area:42.5
Heavy Atom Count:9
Complexity:97.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Pyridinecarboxaldehyde, 1-oxide

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-Pyridinecarboxaldehyde, 1-oxide

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