(2,3-Dihydro-1-benzofuran-5-yl)methanol

HCID 2776158

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Grundinformationen

CAS: 103262-35-7
Standard-SMILES: OCc1ccc2c(c1)CCO2
InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N
Summenformel: C9H10O2
Durchschnittliche Molmasse: 150,17 g/mol
Monoisotopische Masse: 150,06807956

Namen und Bezeichner

Bevorzugter Name: (2,3-Dihydro-1-benzofuran-5-yl)methanol
IUPAC: 2,3-dihydro-1-benzofuran-5-ylmethanol
Englischer Name: 2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHANOL
Summenformel: C9H10O2
Molmasse: 150.17

Namen und Synonyme

(2,3-Dihydro-1-benzofuran-5-yl)methanolRefChem:394498818-951-2103262-35-7(2,3-Dihydrobenzofuran-5-yl)methanol2,3-dihydro-1-benzofuran-5-ylmethanolMFCD021697555-Hydroxymethyl-2,3-dihydrobenzo[b]furan2,3-Dihydro-5-(hydroxymethyl)benzo[b]furan2,3-dihydrobenzo[b]furan-5-ylmethan-1-ol(2,3-Dihydro-benzofuran5-yl)-methanolSCHEMBL317341

Weitere Namen anzeigen

BUTTPARK 121\06-58RARECHEM AL BD 03275-Benzofuranmethanol, 2,3-dihydro-(2,3-Dihydro-benzofuran-5-yl)-methanol2,3-Dihydrobenzo[b]furan-5-yl Methanol(2,3-Dihydro-1-benzofuran-5-yl)methanol, 2,3-Dihydro-5-(hydroxymethyl)-1-benzofuran

SCHEMBL30922323DTXSID90379853XQDNBMXUZGAWSZ-UHFFFAOYSA-N2,3-dihydrobenzofuran-5-ylmethanolCS-M0931DEA26235SBB054831AKOS009157365

Datenbank-Bezeichner

CAS: 103262-35-7
PubChem CID: 2776158
DTXSID: DTXSID90379853
EC Number: 818-951-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Siedepunkt: 152 · 152-155 °C(Press: 8 Torr)
Dichte: 1.217 · 1.217±0.06 g/cm3(Predicted)
Brechungsindex: 1.5776 · 1.5776 (589.3 nm 18℃)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 14.43 · 14.43±0.10(Predicted)
InChI: 1S/C9H10O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,10H,3-4,6H2
InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N
SMILES: OCc1ccc2OCCc2c1
CAS Datenbank: 103262 · 103262-35-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.