2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Grundinformationen
- CAS
325142-84-5- Standard-SMILES
COc1cccc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
DMKREZLZDOSDQU-UHFFFAOYSA-N- Summenformel
- C13H19BO3
- Durchschnittliche Molmasse
- 234,1 g/mol
- Monoisotopische Masse
- 234,1427246
Namen und Bezeichner
- Bevorzugter Name
- 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Englischer Name
- 3-Methoxyphenylboronic Acid Pinacol Ester
- Summenformel
- C13H19BO3
- Molmasse
- 234.1
Namen und Synonyme
325142-84-52-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:455683675-100-63-Methoxyphenylboronic acid pinacol esterMFCD058639153-METHOXYPHENYLBORONIC ACID, PINACOL ESTERDTXSID00465115CS-W003251AB22716AS-23803-Methoxybenzeneboronic acid pinacol ester
Weitere Namen anzeigen
3-Methoxybenzen2-(3-Methoxyloxyphenyl)-43-Methoxybenzeneboronic acid, pinacol ester2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-3-Methoxybenzeneboronic acid, pinacol ester 97%3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anisole1,3,2-Dioxaborolane,2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-
M31242-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxa borolanem-(Pinacolboryl)anisol3-MethoxyphenylboronicAcidPinacolEsterFT-06713241,3,2-DIOXABOROLANE, 2-(3-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-A821308SCHEMBL422395
Datenbank-Bezeichner
- CAS
325142-84-5- PubChem CID
- 11413643
- DTXSID
DTXSID00465115- EC Number
- 675-100-6
- Nikkaji
- J1.491.108A
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 27,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 262
Physikochemische Eigenschaften
- Siedepunkt
- 328.2 · 328.2±25.0 °C(Predicted)
- Dichte
- 1.028 g/mL · 1.028 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D1.502
- Flammpunkt
- 110 ℃ · >110℃
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- InChI
- 1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-7-6-8-11(9-10)15-5/h6-9H,1-5H3
- InChIKey
- DMKREZLZDOSDQU-UHFFFAOYSA-N
- SMILES
- COc1cccc(c1)B2OC(C)(C)C(C)(C)O2
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 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 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
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2931900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3-Methoxyphenylboronic Acid Pinacol Ester is used in the preparation of inhibitors of TGF-β1 and activin A signalling.
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