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HCID 3728Erstellt: 27. Oktober 2026

Diiodhydroxychinolin

DIIODOHYDROXYQUINOLINE · IODOQUINOL · Lodoquinol · 5,7-DIIODOOXINE · DIIODOHYDROXYQUIN · 5,7-DIIODO-8-HYDROXYQUINOLINE · ss578 · Dyodin

https://huagongshe.com/de/chemical/3728

Molekülstruktur von Diiodhydroxychinolin

Identifikatoren & physikalische Daten

CAS No.	83-73-8
Summenformel	C9H5I2NO
Durchschnittliche Molmasse	396,95 g/mol
Monoisotopische Masse	396,84606 g/mol
SMILES	Oc1c(I)cc(I)c2cccnc12
InChIKey	UXZFQZANDVDGMM-UHFFFAOYSA-N
PubChem CID	3728
ChEMBL	CHEMBL86754
ChEBI	CHEBI:5950
EC No.	201-497-9
DTXSID	DTXSID6023155
Lokaler Name	Diiodhydroxychinolin

Chemische & physikalische Eigenschaften

XLogP	3,1
Polarare Oberfläche (TPSA)	33,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	13
Formalladung	0
Komplexität	190
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Boiling point
LogP (Verteilungskoeffizient)	2.49
Geruch	ODORLESS OR NEARLY SO
Color/Form	CRYSTALS FROM XYLENEMEDICINAL GRADE IS YELLOWISH-BROWN POWDERABOVE 150 DEG, SUBLIMATES OF NEEDLES, PRISMS & RODSABOVE 200 DEG BROWN DROPSMELT TURNS DARK-BROWNLIGHT YELLOWISH TO TAN, MICROCRYSTALLINE POWDER
Löslichkeit	ALMOST INSOL IN WATERSPARINGLY SOL IN ALCOHOL, ETHER, ACETONESOL IN HOT PYRIDINE & HOT DIOXANEDMSO (Slightly, Heated), Ethyl Acetate (Slightly, Heated)1g/L at 26℃
Schmelzpunkt	MP 200-215 °C WITH EXTENSIVE DECOMP>200 °C (dec.) (lit.)
Stability/Shelf Life	STABLE IN AIR
Collision Cross Section	146.4 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6023155]143.7 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Siedepunkt	370.95°C (rough estimate)
Dichte	2.3013 (estimate)
Lagerbedingungen	Refrigerator
Aggregatzustand	Solid
pKa (Säurekonstante)	pKa 8.0 (Uncertain)
Farbe	Pale Yellow to Light Beige
Merck	14,5042
Hauptanwendungen	pharmaceutical (small molecule)
InChI	1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey	UXZFQZANDVDGMM-UHFFFAOYSA-N
SMILES	Oc1c(I)cc(I)c2cccnc12
LogP (Verteilungskoeffizient)	0.602 at 26℃
CAS Datenbank	83-73-8(CAS DataBase Reference)
NIST chemische Informationen	5,7-Diiodo-8-hydroxyquinoline(83-73-8)
EPA chemische Informationen	5,7-Diiodo-8-quinolinol (83-73-8)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 67 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	REACH registered substance: Diiodohydroxyquinoline (EC: 201-497-9)
Weitere Sicherheitsinformationen	IMAP assessments - 8-Quinolinol, 5,7-diiodo-: Environment tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (98.5%)
Human Toxicity Excerpts	MOST IMPORTANT TOXIC REACTION...IS SUBACUTE MYELO-OPTIC NEUROPATHY, INCIDENCE OF WHICH HAS PECULIAR GEOGRAPHIC DISTRIBUTION. /IODOCHLORHYDROXYQUIN//SUBACUTE MYELO-OPTIC NEUROPATHY/...SLIGHT INVOLVEMENT OF UPPER LIMBS. LESS COMMON ARE BLURRED VISION & BLINDNESS, DISTURBANCES OF AUTONOMIC NERVOUS SYSTEM, PSYCHOLOGICAL CHANGES, & GREENISH DISCOLORATION OF TONGUE. /IODOCHLORHYDROXYQUIN//SUBACUTE MYELO-OPTIC NEUROPATHY/...IS USUALLY PRECEDED BY ABDOMINAL PAIN & PERSISTENT DIARRHEA, & IT PROCEEDS TO BILATERAL SENSORY DISTURBANCES- PARESTHESIAS & DYSESTHESIAS, PREFERENTIALLY IN DISTAL PARTS OF LOWER LIMBS. ... DEEP SENSORY DISTURBANCES, MUSCLE WEAKNESS IN LEGS, PYRAMIDAL SIGNS... /IODOCHLORHYDROXYQUIN/SYSTEMIC TOXICITY CAN RESULT FROM TOPICAL, ESP INTRAVAGINAL, APPLICATION.For more Human Toxicity Excerpts (Complete) data for DIIODOHYDROXYQUIN (9 total), please visit the HSDB record page.
Non-Human Toxicity Excerpts	...DIIODOHYDROXYQUIN IN.../GUINEA PIGS OR KITTENS/ WAS OCCASIONALLY FATAL @ DOSES WHICH RANGED FROM 50-2000 MG/KG. ... LIVER DAMAGE HAS BEEN OBSERVED IN ANIMALS.
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	3249

CAS No.

83-73-8

Summenformel

C9H5I2NO

Durchschnittliche Molmasse

396,95 g/mol

Monoisotopische Masse

396,84606 g/mol

SMILES

Oc1c(I)cc(I)c2cccnc12

InChIKey

UXZFQZANDVDGMM-UHFFFAOYSA-N

PubChem CID

3728

ChEMBL

CHEMBL86754

ChEBI

CHEBI:5950

EC No.

201-497-9

DTXSID

DTXSID6023155

Lokaler Name

Diiodhydroxychinolin

Chemische & physikalische Eigenschaften

XLogP

3,1

Polarare Oberfläche (TPSA)

33,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

190

Arzneimittel

Pharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties

Boiling point

LogP (Verteilungskoeffizient)

2.49

Geruch

ODORLESS OR NEARLY SO

Color/Form

CRYSTALS FROM XYLENEMEDICINAL GRADE IS YELLOWISH-BROWN POWDERABOVE 150 DEG, SUBLIMATES OF NEEDLES, PRISMS & RODSABOVE 200 DEG BROWN DROPSMELT TURNS DARK-BROWNLIGHT YELLOWISH TO TAN, MICROCRYSTALLINE POWDER

Löslichkeit

ALMOST INSOL IN WATERSPARINGLY SOL IN ALCOHOL, ETHER, ACETONESOL IN HOT PYRIDINE & HOT DIOXANEDMSO (Slightly, Heated), Ethyl Acetate (Slightly, Heated)1g/L at 26℃

Schmelzpunkt

MP 200-215 °C WITH EXTENSIVE DECOMP>200 °C (dec.) (lit.)

Stability/Shelf Life

STABLE IN AIR

Collision Cross Section

146.4 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6023155]143.7 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]

Siedepunkt

370.95°C (rough estimate)

Dichte

2.3013 (estimate)

Lagerbedingungen

Refrigerator

Aggregatzustand

Solid

pKa (Säurekonstante)

pKa 8.0 (Uncertain)

Farbe

Pale Yellow to Light Beige

Merck

14,5042

Hauptanwendungen

pharmaceutical (small molecule)

InChI

1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

InChIKey

UXZFQZANDVDGMM-UHFFFAOYSA-N

SMILES

Oc1c(I)cc(I)c2cccnc12

LogP (Verteilungskoeffizient)

0.602 at 26℃

CAS Datenbank

83-73-8(CAS DataBase Reference)

NIST chemische Informationen

5,7-Diiodo-8-hydroxyquinoline(83-73-8)

EPA chemische Informationen

5,7-Diiodo-8-quinolinol (83-73-8)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 67 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

REACH registered substance: Diiodohydroxyquinoline (EC: 201-497-9)

Weitere Sicherheitsinformationen

IMAP assessments - 8-Quinolinol, 5,7-diiodo-: Environment tier I assessment

Hazard Classes and Categories

Acute Tox. 4 (98.5%)

Human Toxicity Excerpts

MOST IMPORTANT TOXIC REACTION...IS SUBACUTE MYELO-OPTIC NEUROPATHY, INCIDENCE OF WHICH HAS PECULIAR GEOGRAPHIC DISTRIBUTION. /IODOCHLORHYDROXYQUIN//SUBACUTE MYELO-OPTIC NEUROPATHY/...SLIGHT INVOLVEMENT OF UPPER LIMBS. LESS COMMON ARE BLURRED VISION & BLINDNESS, DISTURBANCES OF AUTONOMIC NERVOUS SYSTEM, PSYCHOLOGICAL CHANGES, & GREENISH DISCOLORATION OF TONGUE. /IODOCHLORHYDROXYQUIN//SUBACUTE MYELO-OPTIC NEUROPATHY/...IS USUALLY PRECEDED BY ABDOMINAL PAIN & PERSISTENT DIARRHEA, & IT PROCEEDS TO BILATERAL SENSORY DISTURBANCES- PARESTHESIAS & DYSESTHESIAS, PREFERENTIALLY IN DISTAL PARTS OF LOWER LIMBS. ... DEEP SENSORY DISTURBANCES, MUSCLE WEAKNESS IN LEGS, PYRAMIDAL SIGNS... /IODOCHLORHYDROXYQUIN/SYSTEMIC TOXICITY CAN RESULT FROM TOPICAL, ESP INTRAVAGINAL, APPLICATION.For more Human Toxicity Excerpts (Complete) data for DIIODOHYDROXYQUIN (9 total), please visit the HSDB record page.

Non-Human Toxicity Excerpts

...DIIODOHYDROXYQUIN IN.../GUINEA PIGS OR KITTENS/ WAS OCCASIONALLY FATAL @ DOSES WHICH RANGED FROM 50-2000 MG/KG. ... LIVER DAMAGE HAS BEEN OBSERVED IN ANIMALS.

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

UN-Transportnummer

3249