4-히드록시인돌

1H-indol-4-ol

HCID 75421CAS 2380-94-1
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기본 정보

표준 SMILES
Oc1cccc2[nH]ccc12
InChIKey
NLMQHXUGJIAKTH-UHFFFAOYSA-N
분자식
C8H7NO
평균 분자량
133.15 g/mol
단동위원소 질량
133.05276384

개요

4-hydroxyindole is a member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 4. It is a member of phenols and a member of hydroxyindoles.

이름 및 식별자

우선 이름
1H-indol-4-ol
IUPAC
1H-indol-4-ol
현지명
4-히드록시인돌
영어명
4-Hydroxyindole
분자식
C8H7NO
분자량
133.15

이름 및 동의어

4-Hydroxyindole2380-94-11H-Indol-4-olDTXSID30576961W4VD9085VDTXCID4031485CHEBI:24702RefChem:99330219-177-24-IndololIndol-4-ol4-hydroxy-1h-indole
이름 더 보기
4-하이드록시인돌4-히드록시인돌4-Hdroxyindole1H-INDOLE-4-OL4-HydroxyindoL4-Hydroxxyindole4-Hydroxylndole
MFCD00005667UNII-1W4VD9085V4-Hydroxyindole, 99%EINECS 219-177-24-HYDROXYINDOLE [USP-RS]STK802156CCG-214548AC-5462

데이터베이스 식별자

CAS
2380-94-1
PubChem CID
75421
DTXSID
DTXSID3057696
ChEMBL
CHEMBL446571
ChEBI
CHEBI:24702
UNII
1W4VD9085V
EC Number
219-177-2
Nikkaji
J26.871B

물성

구조 계산 물성

XLogP
2.4
극성 표면적
36 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Indoles
CosmeticsHair dyeing
Physical DescriptionGrey crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
97 · 97-99 °C(lit.)
끓는 점
245.66 °C · 245.66°C (rough estimate)
밀도
1.1475 · 1.1475 (rough estimate)
증기압
0.019 Pa · 0.019Pa at 25℃
굴절률
1.526 · 1.5260 (estimate)
저장 조건
0 · 0-6°C

화학적 성질

Off-White Cyrstalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98%): 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1H-Indol-4-ol

Status: Active Update: 10-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24224

1H-Indol-4-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Indole.
Hazard Classes and CategoriesSkin Irrit. 2 (98%)

안전 데이터

wgk
3
HS 번호
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39
위험 등급
IRRITANT, KEEP COLD

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Hair dyeing

응용 분야

용도4-Hydroxyindole is a Pindolol (P468000) impurity, which is a mixed adrenergic blocker and serotonin 5HT1A-receptor antagonist.

일반 설명Glucouridination of 4-hydroxyindole by human uridine 5′-diphospho-glucuronosyltransferase has been repotrted.

제조 방법 · 1건

Synthesis of 4-hydroxyindole: Using resorcinol as raw material, 4-oxotetrahydrocoumarone carboxylic acid is prepared by isomerization, catalytic hydrogenation, and cyclization with ethyl bromopyruvate. It was added to methanol solution saturated with ammonia, and the reaction was heated in an autoclave to generate 4-oxotetrahydroindole. Finally, 4-hydroxyindole is obtained by dehydrogenation and isomerization.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

추가 설명

정의ChEBI: 4-hydroxyindole is a member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 4. It is a member of phenols and a member of hydroxyindoles.

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