ChemicalBook--->CAS DataBase List--->2380-94-1

2380-94-1

2380-94-1 Structure

2380-94-1 Structure
IdentificationMore
[Name]

4-Hydroxyindole
[CAS]

2380-94-1
[Synonyms]

1H-INDOL-4-OL
1H-INDOLE-4-OL
4-HYDROXY-1H-INDOLE
4-HYDROXYINDOLE
4-INDOLOL
INDOL-4-OL
4-Hydroxy Indole (4-Indolol)
4-Hydroxxyindole
4-Hydroxyindole>99.0%
4-Hydroxyindole,98%
4-Hydroxylndole
[EINECS(EC#)]

219-177-2
[Molecular Formula]

C8H7NO
[MDL Number]

MFCD00005667
[Molecular Weight]

133.15
[MOL File]

2380-94-1.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White Cyrstalline Solid
[Melting point ]

97-99 °C(lit.)
[Boiling point ]

245.66°C (rough estimate)
[density ]

1.1475 (rough estimate)
[vapor pressure ]

0.019Pa at 25℃
[refractive index ]

1.5260 (estimate)
[storage temp. ]

0-6°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.89±0.40(Predicted)
[color ]

Dark Yellow to Green-Grey
[Water Solubility ]

slightly soluble
[Sensitive ]

Air Sensitive
[Detection Methods]

HPLC
[BRN ]

114905
[Cosmetics Ingredients Functions]

HAIR DYEING
[InChI]

1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H
[InChIKey]

NLMQHXUGJIAKTH-UHFFFAOYSA-N
[SMILES]

Oc1cccc2[nH]ccc12
[LogP]

1.57 at 25℃
[CAS DataBase Reference]

2380-94-1(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT, KEEP COLD
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

tert-Butanol-->Paraformaldehyde-->Resorcinol-->N,N-Dimethylacetamide-->Indole-->Ethyl bromopyruvate-->2,6-Dinitrotoluene
[Preparation Products]

4-HO-DET-->Pindolol-->4-(oxiranylmethoxy)-1H-indole-->N-Boc-4-hydroxyindole-->4-Methoxy-indoline-2,3-dione-->4-Hydroxy-1H-indole-3-carbaldehyde-->4-Acetoxyindole-->4-Hydroxyindole-3-carboxylic acid-->Indolin-4-ol hydrochloride-->1,1-dimethylethyl 4-(1H-indol-4- yloxy)-1-piperidinecarboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Indolol(2380-94-1).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-White Cyrstalline Solid
[Uses]

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

4-Hydroxyindole as simple indoles is the important raw material or intermediate in the synthesis of pharmaceutical products and industrial polymers. It effectively inhibits Abeta peptide-induced amyloid fibril formation and prevent cell death induced by the peptide in culture. It is used for the synthesis of anti-inflammatory angular pyrrolocoumarins.
[Definition]

ChEBI: 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.
[Preparation]

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.
[General Description]

Glucouridination of 4-hydroxyindole by human uridine 5′-diphospho-glucuronosyltransferase has been repotrted.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Hydroxyindole(2380-94-1)1HNMR
4-Hydroxyindole(2380-94-1)IR
4-Hydroxyindole(2380-94-1)Raman
4-Hydroxyindole(2380-94-1)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Hydroxyindole, 99%(2380-94-1)
[Alfa Aesar]

4-Hydroxyindole, 98%(2380-94-1)
[Sigma Aldrich]

2380-94-1(sigmaaldrich)
[TCI AMERICA]

4-Hydroxyindole,>99.0%(GC)(2380-94-1)
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