Cyclopropanol
Grundinformationen
- CAS
16545-68-9- Standard-SMILES
OC1CC1- InChIKey
YOXHCYXIAVIFCZ-UHFFFAOYSA-N- Summenformel
- C3H6O
- Durchschnittliche Molmasse
- 58,08 g/mol
- Monoisotopische Masse
- 58,04186481
Überblick
Cyclopropanol is a cyclopropane in which a hydrogen atom is replaced by a hydroxy group. It is an aliphatic alcohol and a member of cyclopropanes.
Namen und Bezeichner
- Bevorzugter Name
- Cyclopropanol
- IUPAC
- cyclopropanol
- Englischer Name
- cyclopropanol
- Summenformel
- C3H6O
- Molmasse
- 58.08
Namen und Synonyme
Cyclopropanol16545-68-9TK7N9F9R3YDTXSID40167949RefChem:129941DTXCID7090440690-605-1HydroxycyclopropaneCyclopropyl alcoholMFCD19707103C3H6OUNII-TK7N9F9R3Y
Weitere Namen anzeigen
opropanoL2-CyclopropanolCyclopropane-1-ol(1α)-Cyclopropanol16545-68-9, CFCD16545689Cyclopropanol (7CI, 8CI, 9CI, ACI)1H-Benzimidazole-1-carboxylicacid,2,3-dihydro-3-oxo-,ethylester
CHEBI:188444AKOS022183551SB40661SY028267CS-0059134EN300-100685AMY35209FT-0698757
Datenbank-Bezeichner
- CAS
16545-68-9- PubChem CID
- 123361
- DTXSID
DTXSID40167949- ChEBI
CHEBI:188444- UNII
- TK7N9F9R3Y
- EC Number
- 690-605-1
- Nikkaji
- J82.517D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 4
- Formalladung
- 0
- Komplexität
- 22,5
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesAtomic environment
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 ℃ · 180℃
- Siedepunkt
- 101 · 101-102℃ (760 Torr)
- Dichte
- 9.911 g/cm3 · 9.9110 g/cm3
- Brechungsindex
- 1.4129 · 1.4129 (589.3 nm 20℃)
- storage temp.
- 2 · 2-8°C
- pka
- 15.31 · 15.31±0.20(Predicted)
- InChI
- InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2
- InChIKey
- YOXHCYXIAVIFCZ-UHFFFAOYSA-N
- SMILES
- C1(O)CC1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (88.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (88.4%)
Sicherheitsdaten
- ridadr
- UN1993
- hazard_class
- 3
Chemie und Industrie
Anwendungen
BeschreibungCyclopropanols can be readily synthesized via synthetic transformations such as the Kulinkovich cyclopropanation and the Simmons-Smith reaction [1]. Due to the high strains built intrinsically in the three-membered ring, cyclopropanols and their derivatives are highly reactive and can undergo various ring opening/expansion/fragmentation reactions. A significant amount of these ring opening/expansion/fragmentation reactions are catalyzed/promoted by transition metal complexes. In many of these cases, cyclopropanols and their derivatives are considered as the equivalents of homoenolates or β-alkyl radicals.
VerwendenCyclopropanol is a basic building block.
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