1H-indol-4-ol

HCID 75421CAS 2380-94-1
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Grundinformationen

Standard-SMILES
Oc1cccc2[nH]ccc12
InChIKey
NLMQHXUGJIAKTH-UHFFFAOYSA-N
Summenformel
C8H7NO
Durchschnittliche Molmasse
133,15 g/mol
Monoisotopische Masse
133,05276384

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
1H-indol-4-ol
IUPAC
1H-indol-4-ol
Englischer Name
4-Hydroxyindole
Summenformel
C8H7NO
Molmasse
133.15

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
36 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
97 · 97-99 °C(lit.)
Siedepunkt
245.66 °C · 245.66°C (rough estimate)
Dichte
1.1475 · 1.1475 (rough estimate)
Dampfdruck
0.019 Pa · 0.019Pa at 25℃
Brechungsindex
1.526 · 1.5260 (estimate)
storage temp.
0 · 0-6°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Sicherheitsdaten

wgk
3
hs_code
29339900
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36-37/39

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationCosmetics -> Hair dyeing

Anwendungen

Verwenden4-Hydroxyindole is a Pindolol (P468000) impurity, which is a mixed adrenergic blocker and serotonin 5HT1A-receptor antagonist.

Darstellung · 1 Eintrag

synthetischeSynthesis 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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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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