5,5-Difluorooxane-2-carboxylic acid

HCID 86677460CAS 1426135-66-1

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Grundinformationen

Standard-SMILES: O=C(O)C1CCC(F)(F)CO1
InChIKey: QVMJWPBLYLFYHW-UHFFFAOYSA-N
Summenformel: C6H8F2O3
Durchschnittliche Molmasse: 166,12 g/mol
Monoisotopische Masse: 166,04415044

Namen und Bezeichner

Bevorzugter Name: 5,5-Difluorooxane-2-carboxylic acid
IUPAC: 5,5-difluorooxane-2-carboxylic acid
Englischer Name: 5,5-difluorotetrahydro-2H-pyran-2-carboxylic acid
Summenformel: C6H8F2O3
Molmasse: 166.1227264

Namen und Synonyme

5,5-Difluorooxane-2-carboxylic acid1426135-66-1RefChem:527715845-706-75,5-Difluorotetrahydropyran-2-carboxylic acidMFCD307341155,5-difluorotetrahydro-2H-pyran-2-carboxylic acid(R)-5,5-DIFLUOROTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID2940879-36-5SCHEMBL147392565,5-Difluorooxane-2-carboxylicacidBHC13566

Weitere Namen anzeigen

5,5-Difluorooxane-2-carboxylic?acid

PS-20473SY223532SY387247CS-0255734EN300-380971P19039

Datenbank-Bezeichner

CAS: 1426135-66-1
PubChem CID: 86677460
EC Number: 845-706-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 169

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.