4-Fluorooxane-4-carboxylic acid
Grundinformationen
- CAS
1150617-62-1- Standard-SMILES
O=C(O)C1(F)CCOCC1- InChIKey
CGKBHMJXQWPYDK-UHFFFAOYSA-N- Summenformel
- C6H9FO3
- Durchschnittliche Molmasse
- 148,13 g/mol
- Monoisotopische Masse
- 148,05357231
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluorooxane-4-carboxylic acid
- IUPAC
- 4-fluorooxane-4-carboxylic acid
- Englischer Name
- 4-Fluorotetrahydro-2H-pyran-4-carboxylic acid
- Summenformel
- C6H9FO3
- Molmasse
- 148.13
Namen und Synonyme
1150617-62-14-Fluorotetrahydro-2H-pyran-4-carboxylic acid4-FLUOROOXANE-4-CARBOXYLIC ACIDDTXSID70654014RefChem:523442DTXCID00604764826-036-44-fluoro-tetrahydro-2H-pyran-4-carboxylic acidMFCD120245362H-PYRAN-4-CARBOXYLIC ACID, 4-FLUOROTETRAHYDRO-4-fluorotetrahydropyran-4-carboxylic acidSCHEMBL1974026
Weitere Namen anzeigen
4-fluoro-4-oxanecarboxylic acid4-Fluoro-tetrahydro-pyran-4-carboxylic acid
CGKBHMJXQWPYDK-UHFFFAOYSA-NAKOS015855834PB15021AS-34529SY097877DB-060673CS-00359854-Fluorotetrahydro-2H-pyran-4-carboxylicacid
Datenbank-Bezeichner
- CAS
1150617-62-1- PubChem CID
- 40152269
- DTXSID
DTXSID70654014- EC Number
- 826-036-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 140
Physikochemische Eigenschaften
- Siedepunkt
- 251.9 · 251.9±40.0 °C(Predicted)
- Dichte
- 1.27 · 1.27
- storage temp.
- 2 · 2-8°C
- pka
- 2.33 · 2.33±0.20(Predicted)
- InChI
- InChI=1S/C6H9FO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H,8,9)
- InChIKey
- CGKBHMJXQWPYDK-UHFFFAOYSA-N
- SMILES
- C1OCCC(F)(C(O)=O)C1
- CAS Datenbank
- 1150617 · 1150617-62-1
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
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