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5-Pyrazolone

5-Pyrazolone structure

CAS No:
137-44-0
Formula:
C3H4N2O
Chemical Name:
5-Pyrazolone
Synonyms:
3H-Pyrazol-3-one,2,4-dihydro-;2-Pyrazolin-5-one;2,4-Dihydro-3H-pyrazol-3-one;5-Pyrazolone;1H-Pyrazol-5(4H)-one;NSC 243823;1,4-Dihydropyrazol-5-one

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5-Pyrazolone Basic Attributes

Molecular Weight：

82.06078

Exact Mass：

84.08

NSC Number：

243823

DSSTox ID：

DTXSID00311547

HScode：

2933199090

Characteristics

PSA：

41.5

XLogP3：

-0.8

Density：

1.44±0.1 g/cm3(Predicted)

Melting Point：

268 °C

Boiling Point：

143-144 °C @ Press: 0.3 Torr

Refractive Index：

1.63

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:84.08
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:84.032362755
Monoisotopic Mass:84.032362755
Topological Polar Surface Area:41.5
Heavy Atom Count:6
Complexity:97
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Pyrazolone

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-Pyrazolone

SDS

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