CAS 90224-96-7 1-Chloroisoquinolin-5-ol (HCID 21979933)

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Basic information

CAS: 90224-96-7
Standard SMILES: Oc1cccc2c(Cl)nccc12
InChIKey: CXTMRJPMLZECQJ-UHFFFAOYSA-N
Molecular formula: C9H6ClNO
Average molar mass: 179.6 g/mol
Monoisotopic mass: 179.01379149

Names & identifiers

Preferred name: 1-Chloroisoquinolin-5-ol
IUPAC: 1-chloroisoquinolin-5-ol
English name: 1-CHLORO-5-HYDROXYISOQUINOLINE
Molecular formula: C9H6ClNO
Molecular weight: 179.6

Names & synonyms

1-chloroisoquinolin-5-ol90224-96-7DTXSID00621097RefChem:229563DTXCID50571851821-058-01-chloro-5-hydroxyisoquinoline1-Chloro-5-isoquinolinolSCHEMBL5663372CXTMRJPMLZECQJ-UHFFFAOYSA-NQDA22496DB-147449

Show more names

5-chloroisoquinolin-1-ol5-Isoquinolinol, 1-chloro-

CS-0236307EN300-1702722

Database identifiers

CAS: 90224-96-7
PubChem CID: 21979933
DTXSID: DTXSID00621097
EC Number: 821-058-0

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 165

Physicochemical properties

Boiling point: 369.3 · 369.3±22.0 °C(Predicted)
Density: 1.412 · 1.412±0.06 g/cm3(Predicted)
pka: 8.12 · 8.12±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501