4-Quinolinol, 3-iodo-

HCID 12376844CAS 64965-48-6

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Basic information

Standard SMILES: O=c1c(I)c[nH]c2ccccc12
InChIKey: HZBSJOAFGNZACW-UHFFFAOYSA-N
Molecular formula: C9H6INO
Average molar mass: 271.05 g/mol
Monoisotopic mass: 270.94941

Names & identifiers

Preferred name: 4-Quinolinol, 3-iodo-
IUPAC: 3-iodo-1H-quinolin-4-one
English name: 3-Iodo-quinolin-4-ol
Molecular formula: C9H6INO
Molecular weight: 271.05

Names & synonyms

3-IODOQUINOLIN-4-OL64965-48-64-Quinolinol, 3-iodo-3-iodo-1,4-dihydroquinolin-4-one937269-23-3DTXSID901314766RefChem:526700DTXCID201744695107-059-2968-175-44-Hydroxy-3-iodoquinoline3-iodo-1H-quinolin-4-one

Show more names

3-iodo-4-Quinolinol

MFCD077002873-iodoquinolin-4(1h)-one3-Iodo-quinolin-4-olSCHEMBL775064SCHEMBL1072588HZBSJOAFGNZACW-UHFFFAOYSA-N3-Iodoquinolin-4-ol, AldrichCPRAKOS022186301

Database identifiers

CAS: 64965-48-6、937269-23-3
PubChem CID: 12376844
DTXSID: DTXSID901314766
EC Number: 107-059-2、968-175-4

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 237

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
InChI: 1S/C9H6INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-5H,(H,11,12)
InChIKey: HZBSJOAFGNZACW-UHFFFAOYSA-N
SMILES: Oc1c(I)cnc2ccccc12
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Acute Tox. 4 (100%)

Safety data

wgk: 3
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses4-Hydroxy-3-iodoquinoline can be used as a pharmaceutical synthesis intermediate. It can be prepared by reacting 4-hydroxyquinoline with iodine or a potassium iodide solution of iodine.