4-Hydroxyacridine

HCID 87462

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Basic information

CAS: 18123-20-1
Standard SMILES: Oc1cccc2cc3ccccc3nc12
InChIKey: HOYZEVWRZVPHEL-UHFFFAOYSA-N
Molecular formula: C13H9NO
Average molar mass: 195.22 g/mol
Monoisotopic mass: 195.06841391

Overview

structure in first source

Names & identifiers

Preferred name: 4-Hydroxyacridine
IUPAC: acridin-4-ol
English name: 4-ACRIDINOL
Molecular formula: C13H9NO
Molecular weight: 195.22

Names & synonyms

Acridin-4-ol18123-20-14-HydroxyacridineDTXSID40171086RefChem:552695DTXCID3093577242-013-64-AcridinolMFCD000427434-Hydroxy-acridin4-hydroxy-acridineEINECS 242-013-6

Show more names

NEOOXINE4-Hydroxyacridine, Neooxine

acridine, 4-hydroxy-L6JFM786FBBIDD:GT0415SCHEMBL802228SCHEMBL3442515AKOS006228273AS-11544NS00054465

Database identifiers

CAS: 18123-20-1
PubChem CID: 87462
DTXSID: DTXSID40171086
UNII: L6JFM786FB
EC Number: 242-013-6
Nikkaji: J260.880D

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 231

Physicochemical properties

Melting point: 114 · 114-118 °C
Boiling point: 416.6 · 416.6±18.0 °C(Predicted)
Density: 1.307 · 1.307±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 7.89 · 7.89±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.