Phenylethane Boronic Acid
Grundinformationen
- CAS
34420-17-2- Standard-SMILES
OB(O)CCc1ccccc1- InChIKey
VPRUMANMDWQMNF-UHFFFAOYSA-N- Summenformel
- C8H11BO2
- Durchschnittliche Molmasse
- 149,98 g/mol
- Monoisotopische Masse
- 150,0852098
Namen und Bezeichner
- Bevorzugter Name
- Phenylethane Boronic Acid
- IUPAC
- 2-phenylethylboronic acid
- Englischer Name
- Phenethylboronic acid
- Summenformel
- C8H11BO2
- Molmasse
- 149.98
Namen und Synonyme
Phenethylboronic acid34420-17-2Phenylethane boronic acidPEBABoronic acid, (2-phenylethyl)-DTXSID101880005U829XNV85RefChem:861730DTXCID001104912-phenylethylboronic acid2-Phenyl-1-ethylboronic acid(2-phenylethyl)boronic acid
Weitere Namen anzeigen
RARECHEM AH PB 0199Phenethylboronic aciPhenethylboranic acidPhenylethylboronic acidB-Phenethylboronic acid2-Phenylethylboronicaci
MFCD01631226Phenylethaneboronic acidPhenethylboronicacid2-Phenylethyl-1-boronic acid2-PHENYLETHANEBORONIC ACIDphenethyl boronic acid(2-phenylethyl)boranediol2-phenylethane boronic acid
Datenbank-Bezeichner
- CAS
34420-17-2- PubChem CID
- 65389
- DTXSID
DTXSID10188000- ChEMBL
CHEMBL20461- UNII
- 5U829XNV85
- EC Number
- 672-926-9
- Nikkaji
- J135.801D
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 100
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 · 76-81 °C (lit.)
- Siedepunkt
- 310.4 · 310.4±35.0 °C(Predicted)
- Dichte
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- powder to crystal
- pka
- 10.12 · 10.12±0.43(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
- InChIKey
- VPRUMANMDWQMNF-UHFFFAOYSA-N
- SMILES
- B(CCC1=CC=CC=C1)(O)O
- CAS Datenbank
- 34420 · 34420-17-2(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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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 3 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 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2931900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenPhenethylboronic acid is a good inhibitor of chymotrypsin.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
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