2,3-Dihydro-1,4-benzodioxin-6-ol

HCID 9115273CAS 10288-72-9

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Grundinformationen

Standard-SMILES: Oc1ccc2c(c1)OCCO2
InChIKey: DBPZCGJRCAALLW-UHFFFAOYSA-N
Summenformel: C8H8O3
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,04734412

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydro-1,4-benzodioxin-6-ol
IUPAC: 2,3-dihydro-1,4-benzodioxin-6-ol
Englischer Name: 6-HYDROXY-1,4-BENZODIOXANE
Summenformel: C8H8O3
Molmasse: 152.15

Namen und Synonyme

2,3-dihydro-1,4-benzodioxin-6-olRefChem:442173805-097-010288-72-92,3-dihydrobenzo[b][1,4]dioxin-6-ol6-Hydroxy-1,4-benzodioxaneMFCD066565711,4-Benzodioxin-6-ol, 2,3-dihydro-2,3-Dihydro-1,4-benzodioxin-6-ol; 1,4-Benzodioxan-6-ol; 2,3-Dihydro-6-hydroxy-1,4-benzodioxin; 2,3-Dihydrobenzo[b][1,4]dioxin-6-ol;3,4-ethylene dioxyphenolbenzo-1,4-dioxan-6-ol6-hydroxy-1,4-benzodioxan

Weitere Namen anzeigen

CHEMBRDG-BB 40031461,4-Benzodioxan-6-ol6-Hydroxy-1.4-benxodioxane1,3-Dihydro-1,4-benzodioxin-6-ol2,3-Dihydrobenzo[1,4]dioxin-6-ol1,4-Benzodioxin-6-ol,2,3-dihydro-

SCHEMBL746125SCHEMBL2809742SCHEMBL6490298SCHEMBL30839096DTXSID70429325DBPZCGJRCAALLW-UHFFFAOYSA-NHMS1759I07ALBB-033350

Datenbank-Bezeichner

CAS: 10288-72-9
PubChem CID: 9115273
DTXSID: DTXSID70429325
EC Number: 805-097-0
Nikkaji: J474.483G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Siedepunkt: 291 ℃ · 291℃
Dichte: 1.302 · 1.302
Flammpunkt: 130 ℃ · 130℃
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Dichloromethane, Ethyl Acetate
pka: 10.12 · 10.12±0.20(Predicted)
Aggregatzustand: Oil
Farbe: Brown
InChI: InChI=1S/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
InChIKey: DBPZCGJRCAALLW-UHFFFAOYSA-N
SMILES: O1C2=CC=C(O)C=C2OCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.