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5-Hydroxyisoquinoline

5-Hydroxyisoquinoline structure

CAS No:
2439-04-5
Formula:
C9H7NO
Chemical Name:
5-Hydroxyisoquinoline
Synonyms:
5-Isoquinolinol;5-Hydroxyisoquinoline;NSC 51787
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

beige granular powder

5-Hydroxyisoquinoline Basic Attributes

Molecular Weight：

145.16

Exact Mass：

145.16

EC Number：

219-456-9

NSC Number：

51787

HScode：

2933499090

Characteristics

PSA：

33.1

XLogP3：

1.7

Appearance：

Beige Granular Powder

Density：

1.3±0.1 g/cm3

Melting Point：

231-233 °C

Boiling Point：

332.1±15.0 °C at 760 mmHg

Flash Point：

154.6±20.4 °C

Refractive Index：

1.691

Safety Information

wgk germany：

hazard class code：

36/37/38-21/22

safety instructions：

26-37/39-36/37/39-36

Marks：

Xi,Xn

Hazard note：

Irritant

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

5-Hydroxyisoquinoline Use and Manufacturing

Reagent used in the preparation of PARP inhibitor.

Computed Properties

Molecular Weight:145.16
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:33.1
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes