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α-Pyridoin

α-Pyridoin structure

CAS No:
1141-06-6
Formula:
C12H10N2O2
Chemical Name:
α-Pyridoin
Synonyms:
Ethanone,2-hydroxy-1,2-di-2-pyridinyl-;Ketone,hydroxy-2-pyridylmethyl 2-pyridyl;2-Hydroxy-1,2-di-2-pyridinylethanone;α-Pyridoin;2-Pyridoin;NSC 24017;2-Hydroxy-1,2-bis(pyridin-2-yl)ethanone;2-Hydroxy-1,2-bis(pyridin-2-yl)ethan-1-one;105776-16-7
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

ORANGE TO BROWN CRYSTALLINE POWDER

α-Pyridoin Basic Attributes

Molecular Weight：

214.22

Exact Mass：

214.22

EC Number：

214-526-5

NSC Number：

24017

HScode：

2933399090

Characteristics

PSA：

63.08000

XLogP3：

1.39290

Appearance：

orange to brown crystalline powder

Density：

1.2042 (rough estimate)

Melting Point：

156 °C

Boiling Point：

354.35°C (rough estimate)

Flash Point：

188.2ºC

Refractive Index：

1.6660 (estimate)

Vapor Pressure：

1.06E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

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.

Drug Information

MeSH Entry Terms：

1,2-di(2-pyridyl)-1,2-ethenediol

Computed Properties

Molecular Weight:214.22
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:214.074227566
Monoisotopic Mass:214.074227566
Topological Polar Surface Area:63.1
Heavy Atom Count:16
Complexity:245
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes