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1-(3-Pyridinyl)-1,3-butanedione

1-(3-Pyridinyl)-1,3-butanedione structure

CAS No:
3594-37-4
Formula:
C9H9NO2
Chemical Name:
1-(3-Pyridinyl)-1,3-butanedione
Synonyms:
1,3-Butanedione,1-(3-pyridinyl)-;1,3-Butanedione,1-(3-pyridyl)-;1-(3-Pyridinyl)-1,3-butanedione;Nicotinoylacetone;1-(3-Pyridyl)-1,3-butanedione;NSC 174282;1-Nicotinoylacetone;1-(Pyridin-3-yl)butane-1,3-dione

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1-(3-Pyridinyl)-1,3-butanedione Basic Attributes

Molecular Weight：

163.18

Exact Mass：

163.17

NSC Number：

174282

DSSTox ID：

DTXSID60306151

HScode：

2933399090

Characteristics

PSA：

XLogP3：

4.68

Density：

1.9±0.1 g/cm3

Melting Point：

85 °C

Boiling Point：

446.0±55.0 °C at 760 mmHg

Flash Point：

223.6±31.5 °C

Refractive Index：

1.754

Safety Information

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:163.17
XLogP3:0.3
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:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-Pyridinyl)-1,3-butanedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(3-Pyridinyl)-1,3-butanedione

SDS

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