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4(1H)-Quinolinone

4(1H)-Quinolinone structure

CAS No:
529-37-3
Formula:
C9H7NO
Chemical Name:
4(1H)-Quinolinone
Synonyms:
4(1H)-Quinolinone;4(1H)-Quinolone;γ-Quinolone;4-Quinolone;1,4-Dihydro-4-quinolinone;1H-4-Oxoquinoline;NSC 263800;1H-Quinolin-4-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

4-quinolone is a quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. It is a tautomer of a quinolin-4-ol.

4(1H)-Quinolinone Basic Attributes

Molecular Weight：

145.16

Exact Mass：

145.16

EC Number：

210-268-2

UNII：

M1O131WXFO

NSC Number：

263800|3183

DSSTox ID：

DTXSID50209980

HScode：

2933499090

Characteristics

PSA：

29.1

XLogP3：

0.6

Density：

1.3±0.1 g/cm3

Melting Point：

208-210 °C

Boiling Point：

80-83 °C @ Press: 1 Torr

Flash Point：

143.1±20.4 °C

Refractive Index：

1.691

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

VC4070000

Marks：

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 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-hydroxyquinoline

Computed Properties

Molecular Weight:145.16
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:29.1
Heavy Atom Count:11
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 529-37-3

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CAS No.: 529-37-3

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