CAS 54584-22-4 2-Methyl-1H-indol-6-ol (HCID 14878596)

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Basic information

CAS: 54584-22-4
Standard SMILES: Cc1cc2ccc(O)cc2[nH]1
InChIKey: JKIGVFLHAJUPCP-UHFFFAOYSA-N
Molecular formula: C9H9NO
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.06841391

Names & identifiers

Preferred name: 2-Methyl-1H-indol-6-ol
IUPAC: 2-methyl-1H-indol-6-ol
English name: 6-Hydroxy-2-methylindole
Molecular formula: C9H9NO
Molecular weight: 147.17

Names & synonyms

2-Methyl-1H-indol-6-ol54584-22-46-Hydroxy-2-methylindoleMFCD098004771H-Indol-6-ol, 2-methyl-DTXSID20564957AKOS006237648CS-W007113DS-3353SB14898SY0602416-Hydroxy-2-methyl-1H-indole

Show more names

6-hydroxy-2-methyl indoleAMY99056-hydroxy-2-methyl indoA7923FT-07058342-methyl-1H-indole-6-olSCHEMBL93623SCHEMBL30648021

Database identifiers

CAS: 54584-22-4
PubChem CID: 14878596
DTXSID: DTXSID20564957

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 36 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 148

Physicochemical properties

Boiling point: 344.8 · 344.8±22.0 °C(Predicted)
Density: 1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.23 · 10.23±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 231 · P231-P222-P305+P351+P338-P403+P233-P422-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P231-P222-P305+P351+P338-P403+P233-P422-P501

Chemistry & industry

Applications · 1 item

Uses6-Hydroxy-2-methylindole belongs to the indole class of aromatic heterocyclic compounds. It appears as a white to light orange-yellow crystalline powder, slightly soluble in water, and readily soluble in organic solvents such as methanol, ethanol, and dichloromethane. It is a specialized indole core intermediate used in pharmaceutical synthesis.