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PyridazineN-oxide

PyridazineN-oxide structure

CAS No:
1457-42-7
Formula:
C4H4N2O
Chemical Name:
PyridazineN-oxide
Synonyms:
PYRIDAZINE-N-OXIDE;Pyridazine1-oxide;PyridazineN-oxide97%;4-chlorine-5-Mioxidepyridazine-3(2H)-ketone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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PyridazineN-oxide Basic Attributes

Molecular Weight：

96.09

Exact Mass：

96.03240

NSC Number：

343739

DSSTox ID：

DTXSID50163139

HScode：

2933990090

Characteristics

PSA：

38.35000

XLogP3：

0.51010

Density：

1.19g/cm3

Melting Point：

298-305 °C

Boiling Point：

210.7ºC at 760mmHg

Flash Point：

81.2ºC

Refractive Index：

1.564

Vapor Pressure：

0.275mmHg at 25°C

Safety Information

Transport codes：

UN 3335

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+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.

PyridazineN-oxide Use and Manufacturing

Coupling partner in palladium-catalyzed direct arylation.

Computed Properties

Molecular Weight:96.09
XLogP3:-0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:96.032362755
Monoisotopic Mass:96.032362755
Topological Polar Surface Area:38.4
Heavy Atom Count:7
Complexity:57.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes