CAS 35320-67-3 4-Hydroxy-2-methylindole (HCID 590225)

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Basic information

CAS: 35320-67-3
Standard SMILES: Cc1cc2c(O)cccc2[nH]1
InChIKey: XBVSGEGNQZAQPM-UHFFFAOYSA-N
Molecular formula: C9H9NO
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.06841391

Names & identifiers

Preferred name: 4-Hydroxy-2-methylindole
IUPAC: 2-methyl-1H-indol-4-ol
English name: 4-Hydroxy-2-methylindole
Molecular formula: C9H9NO
Molecular weight: 147.17

Names & synonyms

4-Hydroxy-2-methylindole35320-67-3DTXSID70343517RefChem:1070749DTXCID302945962-Methyl-1H-indol-4-olMFCD001521332-Methyl-4-indolol1H-Indol-4-ol, 2-methyl-2-methyl-4-hydroxyindole2-methyl-4-hydroxy indole4-hydroxy-2-methyl indole

Show more names

Hydroxymethylindole2-Methyl-1H-indole-4-ol4-HYDROXY-2-METHYINDOLE4-HYDROXYL-2-METHYINDOLE4-hydroxyl-2-methylindole

2-METHYLINDOL-4-OLSCHEMBL9337452-Methyl-1H-indol-4-ol #4-hydroxy-2-methyl-1H-indoleSCHEMBL1650595SCHEMBL29807129XBVSGEGNQZAQPM-UHFFFAOYSA-AKOS006237178

Database identifiers

CAS: 35320-67-3
PubChem CID: 590225
DTXSID: DTXSID70343517
EC Number: 676-228-5
Nikkaji: J383.009H

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

Melting point: 122 · 122-124°C
Boiling point: 339.2 · 339.2±22.0 °C(Predicted)
Density: 1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 10.07 · 10.07±0.40(Predicted)
color: Greenish Brown
CAS DataBase Reference: 35320 · 35320-67-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.