Cyclopropylboronic acid
Grundinformationen
- CAS
411235-57-9- Standard-SMILES
OB(O)C1CC1- InChIKey
WLVKDFJTYKELLQ-UHFFFAOYSA-N- Summenformel
- C3H7BO2
- Durchschnittliche Molmasse
- 85,9 g/mol
- Monoisotopische Masse
- 86,05390986
Namen und Bezeichner
- Bevorzugter Name
- Cyclopropylboronic acid
- IUPAC
- cyclopropylboronic acid
- Englischer Name
- Cyclopropylboronic acid
- Summenformel
- C3H7BO2
- Molmasse
- 85.9
Namen und Synonyme
Cyclopropylboronic acid411235-57-9DTXSID00375402RefChem:129954DTXCID20326431609-890-0Cyclopropyl Boronic AcidMFCD04038750CYCLOPROPANEBORONIC ACIDBORONIC ACID, CYCLOPROPYL-cyclopropylboranediolcyclopropyboronic acid
Weitere Namen anzeigen
CyclopropylboronicAKOS BRN-0457BoronocyclopropaneCyclopropylboronicaCYCLOROPYLBORONIC ACIDB-Cyclopropylboronic AcidCyclopropylboronic acid 95%
cylcopropylboronic acidcycloproyl boronic acidcyclopropanylboronic acidAC-6414BP-10013HY-59219Cyclopropylboronicacidcyclopropyl-boronic acid
Datenbank-Bezeichner
- CAS
411235-57-9- PubChem CID
- 2760897
- DTXSID
DTXSID00375402- EC Number
- 609-890-0
- Nikkaji
- J1.792.918F
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
- 50,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 90 · 90-95 °C (lit.)
- Siedepunkt
- 205.1 · 205.1±23.0 °C(Predicted)
- Dichte
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO
- pka
- 10.49 · 10.49±0.20(Predicted)
- Aggregatzustand
- Powder
- Farbe
- white
- InChI
- InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
- InChIKey
- WLVKDFJTYKELLQ-UHFFFAOYSA-N
- SMILES
- C1CC1B(O)O
- CAS Datenbank
- 411235 · 411235-57-9(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
This chemical does not meet GHS hazard criteria for 6.7% (1 of 15) of reports.
Danger
H242 (20%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P203, P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSelf-react. C (20%)
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 2931900090
- risk_code
- 22-36-61-60-36/37/38
- hazard_code
- Xn,T
- safety_code
- 26-36-45-53-37/39
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Repr. 1B
Chemie und Industrie
Anwendungen
VerwendenReagent used for• ;Microwave-assisted copper(II)-catalyzed N-cyclopropylation1• ;Nickel- and copper-catalyzed Suzuki-Miyaura coupling reaction of arenes2• ;Palladacycle-catalyzed Suzuki-cross coupling of aryl halides with cyclopropylboronic acid3• ;Palladium(0)-catalyzed cyclopropane C-H bond functionalization4• ;Palladium-catalyzed decarboxylative coupling5• ;Palladium-catalyzed ligand-directed oxidative functionalization of cyclopropanes6• ;Palladium-catalyzed Suzuki coupling reaction7Reagent used in Preparation of• ;Diaryl ketones by arylation
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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