(2,2-Difluorocyclopropyl)methanol

HCID 2761401CAS 509072-57-5

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Grundinformationen

Standard-SMILES: OCC1CC1(F)F
InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N
Summenformel: C4H6F2O
Durchschnittliche Molmasse: 108,09 g/mol
Monoisotopische Masse: 108,03867125

Namen und Bezeichner

Bevorzugter Name: (2,2-Difluorocyclopropyl)methanol
IUPAC: (2,2-difluorocyclopropyl)methanol
Englischer Name: 2,2-DIFLUOROCYCLOPROPYLMETHANOL
Summenformel: C4H6F2O
Molmasse: 108.09

Namen und Synonyme

(2,2-difluorocyclopropyl)methanol509072-57-5DTXSID20375747RefChem:205360DTXCID80326775680-732-02,2-Difluorocyclopropylmethanol2,2-difluorocyclopropanemethanolMFCD06797748Cyclopropanemethanol, 2,2-difluoro-C4H6F2OSCHEMBL21904

Weitere Namen anzeigen

CAS:509072-57-5(2,2-Difluorocyclopropyl)2,2-Difluorocyclopropanemethan2,2-Difluorocyclopropylcarbinol2,2-Difluorocyclopropanemethanol,97%2,2-Difluorocyclopropanemethanol, 97%(2,2-Difluorocyclopropyl)-Methanol, 97+%

2,2-Difluorocyclopropyl methanol2,2-DiflSCHEMBL21903(2,2-difluorocyclopropyl)-methanol(2,2-difluoro-cyclopropyl)-methanolAKOS005254700CS-W000392PB42945

Datenbank-Bezeichner

CAS: 509072-57-5
PubChem CID: 2761401
DTXSID: DTXSID20375747
EC Number: 680-732-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 81,8

Physikochemische Eigenschaften

Siedepunkt: 129 °C · 129°C
Dichte: 1.27 g/ml · 1.27g/ml
storage temp.: Store at Room Tem.
pka: 15.1 · 15.10±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Clear
InChI: InChI=1S/C4H6F2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N
SMILES: C1(CO)CC1(F)F
CAS Datenbank: 509072 · 509072-57-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

ridadr: UN1987
hs_code: 2906190090
hazard_code: Xi
hazard_class: 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,2-Difluorocyclopropanemethanol is used as an intermediate in the preparation of (2,2-difluorocyclopropyl)methylamine. It is also used as a reagent in the synthesis of pyrrolopyridine derivatives, which finds application as an antiviral agent.