4-Formylphenylboronic acid pinacol ester
Grundinformationen
- CAS
128376-64-7- Standard-SMILES
CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C- InChIKey
DMBMXJJGPXADPO-UHFFFAOYSA-N- Summenformel
- C13H17BO3
- Durchschnittliche Molmasse
- 232,09 g/mol
- Monoisotopische Masse
- 232,1270746
Namen und Bezeichner
- Bevorzugter Name
- 4-Formylphenylboronic acid pinacol ester
- IUPAC
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
- Englischer Name
- 4-Formylphenylboronic acid pinacol cyclic ester
- Summenformel
- C13H17BO3
- Molmasse
- 232.08
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
128376-64-7- PubChem CID
- 2769536
- DTXSID
DTXSID50377754- EC Number
- 675-003-9
- Nikkaji
- J845.352G
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 277
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 · 55-58°C
- Siedepunkt
- 341.3 · 341.3±25.0 °C(Predicted)
- Dichte
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Crystalline Solid
- Farbe
- Off-white
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-9H,1-4H3
- InChIKey
- DMBMXJJGPXADPO-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
- CAS Datenbank
- 128376 · 128376-64-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 2931900090
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36/37
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Anwendungen
VerwendenA boronic acid benzaldehyde compound for proteomics research.
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