Grundinformationen
- Standard-SMILES
O[C@H]1CCOC1- InChIKey
XDPCNPCKDGQBAN-BYPYZUCNSA-N- Summenformel
- C4H8O2
- Durchschnittliche Molmasse
- 88,11 g/mol
- Monoisotopische Masse
- 88,0524295
Namen und Bezeichner
- Bevorzugter Name
- (S)-(+)-3-Hydroxytetrahydrofuran
- IUPAC
- (3S)-oxolan-3-ol
- Englischer Name
- (S)-(+)-3-Hydroxytetrahydrofuran
- Summenformel
- C4H8O2
- Molmasse
- 88.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
86087-23-2- PubChem CID
- 2733227
- DTXSID
DTXSID50893863- UNII
- 3E76E9MC2H
- EC Number
- 425-090-2、617-795-0
- Nikkaji
- J146.588K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 44,8
Physikochemische Eigenschaften
- Siedepunkt
- 80 °C/15 · 80 °C/15 mmHg (lit.)
- Dichte
- 1.103 g/mL · 1.103 g/mL at 25 °C (lit.)
- Dampfdruck
- 47 Pa · 47Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.45(lit.)
- Flammpunkt
- 175 °F · 175 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Methanol (Slightly)
- pka
- 14.49 · 14.49±0.20(Predicted)
- Aggregatzustand
- Liquid
- Wichte
- 1.11 · 1.11
- Farbe
- Clear colorless to pale yellow
- Wasserlöslichkeit
- soluble
- BRN
- 4652609 · 4652609
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1
- InChIKey
- XDPCNPCKDGQBAN-BYPYZUCNSA-N
- SMILES
- O[C@H]1CCOC1
- LogP
- -0.784 at · -0.784 at 22℃ and pH6.8
- Oberflächenspannung
- 72 mN/m · 72mN/m at 1g/L and 25℃
- CAS Datenbank
- 86087 · 86087-23-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.
Warning
H315 (98.2%): 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)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29321900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Beschreibung(S)-(+)-3-Hydroxytetrahydrofuran (3-OH THF) is a colorless liquid with a normal boiling point of 179 °C and boiling at 88-89 °C at 17 mmHg, with density (1.087 g/cm3 at 19 °C). 3-OH THF is a useful pharmaceutical intermediate. The chiral (absolute configuration S) version of this compound is an intermediate to launched retroviral drugs.
Verwenden(S)-(+)-3-Hydroxytetrahydrofuran is a useful reagent for the preparation of pyrazolo triazin ylamine derivatives as adenosine receptor antagonists.
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