4-Cyclohexylbenzeneboronic acid
Grundinformationen
- CAS
374538-04-2- Standard-SMILES
OB(O)c1ccc(C2CCCCC2)cc1- InChIKey
KNQVRFYNQWNYPU-UHFFFAOYSA-N- Summenformel
- C12H17BO2
- Durchschnittliche Molmasse
- 204,08 g/mol
- Monoisotopische Masse
- 204,1321599
Namen und Bezeichner
- Bevorzugter Name
- 4-Cyclohexylbenzeneboronic acid
- IUPAC
- (4-cyclohexylphenyl)boronic acid
- Englischer Name
- 4-Cyclohexylbenzeneboronic acid
- Summenformel
- C12H17BO2
- Molmasse
- 204.07
Namen und Synonyme
4-Cyclohexylbenzeneboronic acidRefChem:522336670-477-3374538-04-2(4-cyclohexylphenyl)boronic Acid4-cyclohexylphenylboronic acidMFCD02093068BORONIC ACID, (4-CYCLOHEXYLPHENYL)-4-cyclohexylphenylboronicacidAKOS BRN-0060Boronic acid, (4-cyclohexylphenyl)- (9CI)SCHEMBL257745
Weitere Namen anzeigen
p-Cyclohexylbenzeneboronic Acid4-Cyclohexylbenzeneboronic acid 98%BORONIC ACID,B-(4-CYCLOHEXYLPHENYL)-
4-cyclohexyl-phenylboronic acid4-cyclohexyl phenyl-boronic acid4-cyclohexyl-phenyl boronic acid4-cyclohexyl-benzene boronic acidDTXSID80404608KNQVRFYNQWNYPU-UHFFFAOYSA-N(4-BORONOPHENYL)CYCLOHEXANE4-Cyclohexylbenzeneboronicacid,98%
Datenbank-Bezeichner
- CAS
374538-04-2- PubChem CID
- 4589189
- DTXSID
DTXSID80404608- EC Number
- 670-477-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 182
Physikochemische Eigenschaften
- Schmelzpunkt
- 220 °C · 220°C
- Siedepunkt
- 363.7 · 363.7±35.0 °C(Predicted)
- Dichte
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.81 · 8.81±0.10(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C12H17BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,14-15H,1-5H2
- InChIKey
- KNQVRFYNQWNYPU-UHFFFAOYSA-N
- SMILES
- OB(O)c1ccc(cc1)C2CCCCC2
- CAS Datenbank
- 374538 · 374538-04-2(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 (100%): 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 5 reports by companies from 1 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.
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2931900090
- risk_code
- 36/37/38-41
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
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