tert-Butyl (3R)-3-fluoropyrrolidine-1-carboxylate
Grundinformationen
- CAS
876617-25-3- Standard-SMILES
CC(C)(C)OC(=O)N1CC[C@@H](F)C1- InChIKey
SUECTKVSIDXQQE-SSDOTTSWSA-N- Summenformel
- C9H16FNO2
- Durchschnittliche Molmasse
- 189,23 g/mol
- Monoisotopische Masse
- 189,11650697
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl (3R)-3-fluoropyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-fluoropyrrolidine-1-carboxylate
- Englischer Name
- (R)-1-BOC-3-FLUORO PYRROLIDINE
- Summenformel
- C9H16FNO2
- Molmasse
- 189.23
Namen und Synonyme
876617-25-3tert-Butyl (3R)-3-fluoropyrrolidine-1-carboxylateDTXSID50654395RefChem:383016DTXCID50605145(R)-1-Boc-3-fluoropyrrolidineMFCD04114065(R)-1-BOC-3-FLUORO PYRROLIDINEC9H16FNO2(R)-tert-butyl 3-fluoropyrrolidine-1-carboxylatetert-butyl (R)-3-fluoropyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-fluoro-, 1,1-dimethylethyl ester, (3R)-
Weitere Namen anzeigen
(R)-(-)-1-Boc-3-fluoropyrrolid(R)-(-)-1-Boc-3-fluoropyrrolidine,96%(3R)-3-Fluoropyrrolidine, N-BOC protected(S)-tert-butyl 3-fluoropyrrolidine-1-carboxylate(3R)-3-Fluoro-1-Pyrrolidinecarboxylic acid tert-butyl ester
SCHEMBL1733238SCHEMBL22776739SUECTKVSIDXQQE-SSDOTTSWSA-N(R)-N-BOC-FLUOROPYRROLIDINEAKOS016842821(R)-1-Boc-3-fluoropyrrolidine, 95%AC-26926AC-26928
Datenbank-Bezeichner
- CAS
876617-25-3- PubChem CID
- 40430177
- DTXSID
DTXSID50654395- EC Number
- 687-337-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 200
Physikochemische Eigenschaften
- Siedepunkt
- 230 ℃ · 230℃
- Dichte
- 1.08 · 1.08
- Flammpunkt
- 93 ℃ · 93℃
- Brechungsindex
- 1.442 · 1.4420
- storage temp.
- 2 · 2-8°C
- pka
- -3.6 · -3.60±0.40(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Colorless to pale yellow
- InChI
- InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
- InChIKey
- SUECTKVSIDXQQE-SSDOTTSWSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC[C@@H](F)C1
- CAS Datenbank
- 876617 · 876617-25-3
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- hs_code
- 2933998090
- hazard_class
- 6.1
Chemie und Industrie
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