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4-Pyridinealdoxime

4-Pyridinealdoxime structure

CAS No:
696-54-8
Formula:
C6H6N2O
Chemical Name:
4-Pyridinealdoxime
Synonyms:
4-Pyridinecarboxaldehyde,oxime;Isonicotinaldehyde,oxime;4-Pyridinealdoxime;4-(Hydroxyiminomethyl)pyridine;NSC 63847;4-Pyridinaldoxime;Pyridine-4-carboxaldoxime
Categories:
Chemical Reagents > Organic Reagents

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Description

white very fine crystalline powder

4-Pyridinealdoxime Basic Attributes

Molecular Weight：

122.12

Exact Mass：

122.12

BRN：

2079

EC Number：

211-796-6

HScode：

29333999

Characteristics

PSA：

45.5

XLogP3：

0.88970

Appearance：

fine crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

130-133 °C

Boiling Point：

195.6°C at 760 mmHg

Flash Point：

110 °C

Refractive Index：

1.560

Water Solubility：

H2O: 10 g/L (20 ºC)

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Vapor Pressure：

<0.01 hPa (50 °C)

Toxicity：

LD50 orally in Rabbit: 655 mg/kg

Safety Information

Packing level：

Ⅲ

Transport codes：

2811

wgk germany：

hazard class code：

20/22-36/37/38-20/21/22

safety instructions：

26-36-37/39

RTECS Number：

NR9410000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H302 + 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

pyridine-4-aldoxime

4-Pyridinealdoxime Use and Manufacturing

Methods of Manufacturing

Oxidation with 4-methylpyridine by air produces 4-pyridinecarboxaldehyde, which is then oximated with hydroxylamine sulfate to obtain the product.

Uses

An intermediate for bis(hydroxyiminomethylpyridinium)butenes as reactivators of chlorpyrifos-inhibited acetylcholinesterase.

Computed Properties

Molecular Weight:122.12
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:122.048012819
Monoisotopic Mass:122.048012819
Topological Polar Surface Area:45.5
Heavy Atom Count:9
Complexity:97.2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Pyridinealdoxime

CAS No.: 696-54-8

Content: 99.00%

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