7-Hydroxyindole

HCID 2737651CAS 2380-84-9

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1cccc2cc[nH]c12
InChIKey: ORVPXPKEZLTMNW-UHFFFAOYSA-N
Molecular formula: C8H7NO
Average molar mass: 133.15 g/mol
Monoisotopic mass: 133.05276384

Overview

structure in first source

Names & identifiers

Preferred name: 7-Hydroxyindole
IUPAC: 1H-indol-7-ol
English name: 7-Hydroxyindole
Molecular formula: C8H7NO
Molecular weight: 133.15

Names & synonyms

7-hydroxyindole1H-indol-7-ol2380-84-97-HYDROXY-1H-INDOLEINDOL-7-OLOR3V96LY5GJ467.723DDTXSID5042669RefChem:106226DTXCID3022669691-806-7MFCD00152102

Show more names

7-HYDROXYLINDOLE7-HYDROXYINDOLE 95%7-Monohydroxyindole7-Hydroxyindole ,97%7-hydroxyindole , (1H-indol-7-ol)

7-Indolol7-hydroxy-indoleUNII-OR3V96LY5G7-hydroxyindole, AldrichCPRSCHEMBL1096657-hydrAMY18001SCHEMBL276716

Database identifiers

CAS: 2380-84-9
PubChem CID: 2737651
DTXSID: DTXSID5042669
ChEMBL: CHEMBL3634136
UNII: OR3V96LY5G
EC Number: 691-806-7
Nikkaji: J467.723D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 36 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 84 · 84-88
Boiling point: 343.2 · 343.2±15.0 °C(Predicted)
Density: 1.327 · 1.327±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
pka: 10.1 · 10.10±0.40(Predicted)
form: Solid
Appearance: Off-white to light brown Solid
InChI: 1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
InChIKey: ORVPXPKEZLTMNW-UHFFFAOYSA-N
SMILES: Oc1cccc2cc[nH]c12
CAS DataBase Reference: 2380 · 2380-84-9(CAS DataBase Reference)
FDA UNII: 3 V96LY5G · OR3V96LY5G
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-41-36/37/38-20/21/22
Safety Statements: 26 · 26-39-36/37/39
WGK Germany: 3 · 3
Hazard Note: -20 C · Harmful/Irritant/Store below -20C
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.