(2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid
Grundinformationen
- CAS
164014-95-3- Standard-SMILES
OB(O)c1ccc2c(c1)OCCO2- InChIKey
SQDUGGGBJXULJR-UHFFFAOYSA-N- Summenformel
- C8H9BO4
- Durchschnittliche Molmasse
- 179,97 g/mol
- Monoisotopische Masse
- 180,0593889
Namen und Bezeichner
- Bevorzugter Name
- (2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-6-ylboronic acid
- Englischer Name
- 1,4-Benzodioxane-6-boronic acid
- Summenformel
- C8H9BO4
- Molmasse
- 179.97
Namen und Synonyme
(2,3-dihydro-1,4-benzodioxin-6-yl)boronic acidRefChem:394491625-755-91,4-Benzodioxane-6-boronic acid164014-95-32,3-dihydro-1,4-benzodioxin-6-ylboronic acid(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)boronic acidMFCD010096961,4-Benzodioxan-6-boronic acidBoronic acid, B-(2,3-dihydro-1,4-benzodioxin-6-yl)-BORONIC ACID, (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3,4-(ethylenedioxy)benzeneboronic acid
Weitere Namen anzeigen
2,3-Dihydro-1,4-benzodiox4-Bromo-2,28-diaminopyridine1,4-Benzodioxane-6-boronicaci3,4-(Ethylenedioxy)phenylboronic6-(1,4-Benzodioxanyl)boronic acidBenzo-1,4-dioxane-6-boronic acid,Benzo[d][1,3]dioxane-6-boronic acid
AB07964AS-15068SY0216002,3-Dihydro-1,4-benzodioxin-6-yl boronic acid2,3-dihydrobenzo[b][1,4]dioxin-6-ylboronic acid1,4-Benzodioxane-6-boronicacid(1,4-benzodioxan-6-yl)boronic acid3H-ben
Datenbank-Bezeichner
- CAS
164014-95-3- PubChem CID
- 2776178
- DTXSID
DTXSID00379869- EC Number
- 625-755-9
- Nikkaji
- J1.915.077A
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 176
Physikochemische Eigenschaften
- Schmelzpunkt
- 187 °C · 187 °C
- Siedepunkt
- 361 · 361.0±52.0 °C(Predicted)
- Dichte
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder
- pka
- 8.52 · 8.52±0.20(Predicted)
- Farbe
- white to off-white
- BRN
- 7478648 · 7478648
- InChI
- InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2
- InChIKey
- SQDUGGGBJXULJR-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C2OCCOC2=C1)(O)O
- CAS Datenbank
- 164014 · 164014-95-3(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 48 reports by companies from 6 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
- tsca
- No
- hs_code
- 29163990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenReactant involved in:Addition reactions with 1,8-naphthyridine N-oxidesIodocyclization and palladium-catalyzed coupling reactions for synthesis of pyranoquinolinesSuzuki coupling reactions for synthesis of combretastatin analogsSuzuki-Miyaura coupling reactions for synthesis of aryl-substituted oxabenzindoles and methanobenzindolesPalladium-catalyzed oxyarylation of Heck reaction intermediatesC-H functionalization of quinones
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