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1-(4-PYRIDINYL)-1,3-BUTANEDIONE

1-(4-PYRIDINYL)-1,3-BUTANEDIONE structure

CAS No:
75055-73-1
Formula:
C9H9NO2
Chemical Name:
1-(4-PYRIDINYL)-1,3-BUTANEDIONE
Synonyms:
1-(4-PYRIDINYL)-1,3-BUTANEDIONE;4-Acetoacetylpyridine;1-(4-Pyridyl)-1,3-butanedione;1-(pyridin-4-yl)butane-1,3-dione;1-(PYRIDIN-4-YL)BUTANE-1,3-DIONE(WXC08134);1,3-Butanedione,1-(4-pyridinyl)-

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1-(4-PYRIDINYL)-1,3-BUTANEDIONE Basic Attributes

Molecular Weight：

163.17

Exact Mass：

163.063328530

DSSTox ID：

DTXSID30497348

Characteristics

Density：

1.130

Melting Point：

66-67℃

Boiling Point：

291℃

Refractive Index：

1.5300 (estimate)

Safety Information

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.17
XLogP3:0.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:47
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-PYRIDINYL)-1,3-BUTANEDIONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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