(S)-(-)-3-Cyclohexene-1-carboxylic Acid
Grundinformationen
- CAS
5708-19-0- Standard-SMILES
O=C(O)[C@@H]1CC=CCC1- InChIKey
VUSWCWPCANWBFG-ZCFIWIBFSA-N- Summenformel
- C7H10O2
- Durchschnittliche Molmasse
- 126,15 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (S)-(-)-3-Cyclohexene-1-carboxylic Acid
- IUPAC
- (1S)-cyclohex-3-ene-1-carboxylic acid
- Englischer Name
- (S)-(-)-3-Cyclohexenecarboxylic acid
- Summenformel
- C7H10O2
- Molmasse
- 126.15
Namen und Synonyme
5708-19-0(S)-(-)-3-CYCLOHEXENE-1-CARBOXYLIC ACIDRefChem:407693634-675-3(S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID(1S)-cyclohex-3-ene-1-carboxylic acid(S)-Cyclohex-3-enecarboxylic acidMFCD08275437(S)-3-Cyclohexene-1-carboxylic acid(S)-(-)-Cyclohex-3-enecarboxylic acid(S)-(+)-3-Cyclohexenecarboxylic acid(S)-3-Cyclohexenecarboxylic acid
Weitere Namen anzeigen
(S)-cyclohex-3-ene-1-carboxylic acid(S)-(-)-3-CYCLOHEXENEC(S)-(-)-3-CYCLOHEXENECARBOXYLICA(1S)-3-cyclohexenecarboxylic acid(S)-(-)-3-cyclohexencarboxylic acid(S)-(-)-3-Cyclohexenecaboxylic acid(1S)-cyclohex-3-ene-1-carboxylicaci
3-Cyclohexene-1-carboxylic acid, (1S)-(S)-Cyclohex-3-enecarboxylicacidSCHEMBL468425VUSWCWPCANWBFG-ZCFIWIBFSA-NAKOS006287439(1S)-3-cyclohexene-1-carboxylic acidCS-W018428AC-33550
Datenbank-Bezeichner
- CAS
5708-19-0- PubChem CID
- 7128364
- EC Number
- 634-675-3
- Nikkaji
- J761.975H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 138
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
Physikochemische Eigenschaften
- Schmelzpunkt
- 19 °C · 19°C(lit.)
- Siedepunkt
- 118 °C/6mmHg · 118°C/6mmHg(lit.)
- Dichte
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.478 to · 1.4780 to 1.4820
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- clear liquid
- pka
- 4.67 · 4.67±0.20(Predicted)
- Farbe
- Colorless to Almost colorless
- InChI
- InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1
- InChIKey
- VUSWCWPCANWBFG-ZCFIWIBFSA-N
- SMILES
- [C@H]1(C(O)=O)CCC=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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Sicherheitsdaten
- ridadr
- UN 3265 8 / PGIII
- hs_code
- 2916200090
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
Chemie und Industrie
Anwendungen
Verwenden(S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
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