(1H-indol-2-yl)methanol

HCID 98783

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 24621-70-3
Standard SMILES: OCc1cc2ccccc2[nH]1
InChIKey: XEEANGGQJOWRTG-UHFFFAOYSA-N
Molecular formula: C9H9NO
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.06841391

Names & identifiers

Preferred name: (1H-indol-2-yl)methanol
IUPAC: 1H-indol-2-ylmethanol
English name: 1H-Indol-2-ylmethanol
Molecular formula: C9H9NO
Molecular weight: 147.17

Names & synonyms

(1H-Indol-2-yl)methanolRefChem:392739625-794-124621-70-31H-Indole-2-methanol1H-indol-2-ylmethanol(1H-Indol-2-yl)-methanol2-(Hydroxymethyl)indoleMFCD00030195indole-2-methanolhydroxymethylindol2-Indolemethanol

Show more names

1H-Indole-2-methanol 90%2-(Hydroxymethyl)-1H-indole 97+%

2-hydroxymethylindoleNSC 165230(1h-indol-2-yl) methanolindol-2-ylmethan-1-ol2-(Hydroxymethyl)-1H-indoleSCHEMBL1177659SCHEMBL1442945SCHEMBL2562389

Database identifiers

CAS: 24621-70-3
PubChem CID: 98783
DTXSID: DTXSID00179366
ChEMBL: CHEMBL4522775
EC Number: 625-794-1
Nikkaji: J1.035.661J

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 36 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 72 · 72-78 °C
Boiling point: 360.6 · 360.6±17.0 °C(Predicted)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 14.86 · 14.86±0.10(Predicted)
Appearance: Light brown to yellow Solid
InChI: InChI=1S/C9H9NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-5,10-11H,6H2
InChIKey: XEEANGGQJOWRTG-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C=C1CO
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Eye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933998090
risk_code: 41
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 26
Storage Class: 11 - Combustible Solids
Hazard statements: H318
Hazard Classifications: Eye Dam. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesReactant for the synthesis of:Oxazino[4,3-a]indoles2-arylsulfonylmethyl-3-piperazinylmethylindole derivatives as 5-HT6 receptor ligandsSR13668 designed to mimic the unique anticancer mechanisms of dietary indole-3-carbinol to block Akt signalingAzido- and isothiocyanato-substituted indoles as melatoninergic agents