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HCID 3728생성일: 2026년 10월 27일

디아이오딘하이드록시퀴놀린

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

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

식별자 및 물리적 특성

CAS No.	83-73-8
분자식	C9H5I2NO
평균 분자량	396.95 g/mol
단동위원소 질량	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
현지명	디아이오딘하이드록시퀴놀린

화학 및 물리적 성질

XLogP	3.1
극성 표면적	33.1
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	13
형식 전하	0
복잡도	190
의약품	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	2.49
냄새	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
용해도	ALMOST INSOL IN WATERSPARINGLY SOL IN ALCOHOL, ETHER, ACETONESOL IN HOT PYRIDINE & HOT DIOXANEDMSO(소량으로 용해, 난방), 에틸아세테이트(소량으로 용해, 난방)
녹는점	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]
끓는 점	370.95°C (rough estimate)
밀도	2.3013 (estimate)
저장 조건	Refrigerator
물리적 상태	고체
pKa(산도 계수)	pKa 8.0 (Uncertain)
색상	옅은 노란색에서 밝은 베이지색까지
용해도	1g/L at 26℃
Merck	14,5042
주요 응용	의약품(소분자)
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(분배 계수)	0.602 at 26℃
NIST	5,7-Diiodo-8-hydroxyquinoline(83-73-8)
EPA	5,7-Diiodo-8-quinolinol (83-73-8)

안전 및 규제

GHS 분류	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.
규제 정보	REACH registered substance: Diiodohydroxyquinoline (EC: 201-497-9)
기타 안전 정보	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.
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	VC5775000
운송 번호(UN)	3249
독성

CAS No.

83-73-8

분자식

C9H5I2NO

평균 분자량

396.95 g/mol

단동위원소 질량

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

현지명

디아이오딘하이드록시퀴놀린

화학 및 물리적 성질

XLogP

3.1

극성 표면적

33.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

190

의약품

Pharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties

Boiling point

LogP(분배 계수)

2.49

냄새

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

용해도

ALMOST INSOL IN WATERSPARINGLY SOL IN ALCOHOL, ETHER, ACETONESOL IN HOT PYRIDINE & HOT DIOXANEDMSO(소량으로 용해, 난방), 에틸아세테이트(소량으로 용해, 난방)

녹는점

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]

끓는 점

370.95°C (rough estimate)

밀도

2.3013 (estimate)

저장 조건

Refrigerator

물리적 상태

고체

pKa(산도 계수)

pKa 8.0 (Uncertain)

색상

옅은 노란색에서 밝은 베이지색까지

용해도

1g/L at 26℃

Merck

14,5042

주요 응용

의약품(소분자)

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(분배 계수)

0.602 at 26℃

NIST

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

EPA

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

안전 및 규제

GHS 분류

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.

규제 정보

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

기타 안전 정보

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.

수질 위해 등급(WGK)

TSCA 등재 상태

TSCA listed

RTECS 번호

VC5775000

운송 번호(UN)

3249

독성