Grundinformationen
- Standard-SMILES
C=C(C)B(O)O- InChIKey
WCONKKYQBKPMNZ-UHFFFAOYSA-N- Summenformel
- C3H7BO2
- Durchschnittliche Molmasse
- 85,9 g/mol
- Monoisotopische Masse
- 86,05390986
Namen und Bezeichner
- Bevorzugter Name
- (Prop-1-en-2-yl)boronic acid
- IUPAC
- prop-1-en-2-ylboronic acid
- Englischer Name
- Isopropenylboronic Acid
- Summenformel
- C3H7BO2
- Molmasse
- 85.9
Namen und Synonyme
(prop-1-en-2-yl)boronic acidRefChem:406868816-807-3Prop-1-en-2-ylboronic Acid14559-87-6isopropenylboronic acidBoronic acid, B-(1-methylethenyl)-Boronic acid, (1-methylethenyl)-MFCD021795001-propene-2-boronic acid1-propen-2-ylboronic acid(1-methylethenyl)-Boronic acid
Weitere Namen anzeigen
Prop-1-en-2-ylboronicaciProp-1-en-2-ylboronic acid,97%(stabilized with TBC)2-Propenylboronic acid Isopropenylboronic acid
Prop-1-en-2-ylboronicAcid2-propenylboronic acidisopropenyl boronic acidSCHEMBL531585prop-1-en-2-yl boronic acidDTXSID90445901WCONKKYQBKPMNZ-UHFFFAOYSA-NAKOS016002368
Datenbank-Bezeichner
- CAS
14559-87-6- PubChem CID
- 10855372
- DTXSID
DTXSID90445901- EC Number
- 816-807-3
- Nikkaji
- J1.965.865A
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 59,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 104 ℃ · 104℃
- Siedepunkt
- 78 · 78-80℃ (18 Torr)
- Dichte
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.4 · 9.40±0.43(Predicted)
- Farbe
- Off-White to Light Beige
- Stabilität
- Light and Temperature Sensitive
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 3 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. 4 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
VerwendenIsopropenylboronic Acid is a reagent used in various synthetic preparations.
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