CAS 1075-25-8 (1H-indol-5-yl)methanol (HCID 2773458)

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Basic information

CAS: 1075-25-8
Standard SMILES: OCc1ccc2[nH]ccc2c1
InChIKey: ZSHFWQNPJMUBQU-UHFFFAOYSA-N
Molecular formula: C9H9NO
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.06841391

Names & identifiers

Preferred name: (1H-indol-5-yl)methanol
IUPAC: 1H-indol-5-ylmethanol
English name: Indole-5-methanol
Molecular formula: C9H9NO
Molecular weight: 147.17

Names & synonyms

(1H-indol-5-yl)methanolRefChem:392745688-376-81075-25-8Indole-5-methanol1H-indol-5-ylmethanol5-Hydroxymethylindole1H-Indole-5-methanolMFCD021795945-(HYDROXYMETHYL)-1H-INDOLEindole-5-methanol, AldrichCPRAKOS000321461

Show more names

103372INDOLE-5-METHANOLARARECHEM AL BD 08741H-Indole-5-methanol (9CI, ACI)

AB11366SY064238indol-5-ylmethan-1-olCS-0091638EN300-370665(5-Indolyl)methanolA1BDUBB 0254647

Database identifiers

CAS: 1075-25-8
PubChem CID: 2773458
DTXSID: DTXSID40378472
ChEMBL: CHEMBL1650258
EC Number: 688-376-8

Properties

Computed structural properties

XLogP: 1.4
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: 66 · 66-70
Boiling point: 360.6 · 360.6±17.0 °C(Predicted)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 14.52 · 14.52±0.10(Predicted)
color: Yellow
CAS DataBase Reference: 1075 · 1075-25-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Safety Statements: 24 · 24/25
Hazard Note: Irritant/Harmful
HazardClass: IRRITANT
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.