1-Hydroxy-1-cyclopropanecarboxylic acid
Grundinformationen
- CAS
17994-25-1- Standard-SMILES
O=C(O)C1(O)CC1- InChIKey
GQXURJDNDYACGE-UHFFFAOYSA-N- Summenformel
- C4H6O3
- Durchschnittliche Molmasse
- 102,09 g/mol
- Monoisotopische Masse
- 102,03169405
Namen und Bezeichner
- Bevorzugter Name
- 1-Hydroxy-1-cyclopropanecarboxylic acid
- IUPAC
- 1-hydroxycyclopropane-1-carboxylic acid
- Englischer Name
- 1-Hydroxy-1-cyclopropanecarboxylic acid
- Summenformel
- C4H6O3
- Molmasse
- 102.09
Namen und Synonyme
17994-25-11-Hydroxy-1-cyclopropanecarboxylic acidDTXSID90369774RefChem:433100DTXCID40320810626-105-71-hydroxycyclopropane-1-carboxylic Acid1-hydroxycyclopropanecarboxylic acidCyclopropanecarboxylic acid, 1-hydroxy-MFCD000107971-hydroxy-cyclopropanecarboxylic acid1-hydroxycyclopropanecaboxylic acid
Weitere Namen anzeigen
SW-66SWF-661-HydroxycycL1-hydroxycyclopropane-1-carboxylicaci1-Hydroxy-cyclopropan-carboxylic acidCyclopropanecarboxylicacid, 1-hydroxy-1-HYDROXY-CYCLOPROPANECARBOXYLIC ACID,97%
AKOS000121170PB473131-hydroxy-cyclopropane-1-carboxylic acid1-Carboxy-1-hydroxycyclopropaneA18337SCHEMBL153693SCHEMBL198365SCHEMBL12230968
Datenbank-Bezeichner
- CAS
17994-25-1- PubChem CID
- 2733160
- DTXSID
DTXSID90369774- EC Number
- 626-105-7
- Nikkaji
- J2.476.404D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,5
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 104
Physikochemische Eigenschaften
- Schmelzpunkt
- 108 · 108-110 °C(lit.)
- Siedepunkt
- 276.57 °C · 276.57°C
- Dichte
- 1.676 · 1.6760
- Brechungsindex
- 1.513 · 1.5130 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform+DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Fine Crystalline Powder
- pka
- 3.94 · 3.94±0.20(Predicted)
- Farbe
- Beige
- InChI
- InChI=1S/C4H6O3/c5-3(6)4(7)1-2-4/h7H,1-2H2,(H,5,6)
- InChIKey
- GQXURJDNDYACGE-UHFFFAOYSA-N
- SMILES
- C1(O)(C(O)=O)CC1
- CAS Datenbank
- 17994 · 17994-25-1(CAS DataBase Reference)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29181998
- risk_code
- 36/37/38-34-22
- hazard_code
- Xi,C
- safety_code
- 26-36-45-36/37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
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