4'-Pentyloxybiphenyl-4-boronic Acid

HCID 11358071CAS 158937-25-8

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Grundinformationen

Standard-SMILES: CCCCCOc1ccc(-c2ccc(B(O)O)cc2)cc1
InChIKey: DBDYXLZXTNHAFI-UHFFFAOYSA-N
Summenformel: C17H21BO3
Durchschnittliche Molmasse: 284,2 g/mol
Monoisotopische Masse: 284,1583747

Namen und Bezeichner

Bevorzugter Name: 4'-Pentyloxybiphenyl-4-boronic Acid
IUPAC: [4-(4-pentoxyphenyl)phenyl]boronic acid
Englischer Name: [4'-(pentyloxy)[1,1'-biphenyl]-4-yl]boronic acid
Summenformel: C17H21BO3
Molmasse: 284.16

Namen und Synonyme

4'-Pentyloxybiphenyl-4-boronic AcidRefChem:506236811-155-6158937-25-8(4'-(Pentyloxy)-[1,1'-biphenyl]-4-yl)boronic acid[4'-(pentyloxy)[1,1'-biphenyl]-4-yl]boronic acid[4-(4-pentoxyphenyl)phenyl]boronic AcidMFCD07644475C17H21BO3[4'-(Pentyloxy)[1,1'-biphenyl]-4-yl] boronic acidSCHEMBL2555796Boronic acid, B-[4'-(pentyloxy)[1,1'-biphenyl]-4-yl]-

Weitere Namen anzeigen

4-pentoxyl biphenyl boric acid4'-Amyloxybiphenyl-4-boronic Acid4'-hydroxy-4-biphenylboronic Acid4'-Pentyloxyl-4-biphenylboronic aci4’-Pentyloxy-4-biphenylboronic acid4'-Pentyloxyl-4-biphenylboronic acid4-(4-pentoxyphenyl)phenyl]boronic acid4'-(Pentyloxy)biphenyl-4-ylboronic acid4-(4-n-pentyloxyphenyl)phenylboronic acid

[4/'-(Pentyloxy)[1,1/'-biphenyl]-4-yl]boronic acid4-(4-pentyloxyphenyl)benzeneboronicacid4-(4-Pentyloxyphenyl)benzeneboronic acidDS-18345P23654 inverted exclamation mark -(Pentyloxy)biphenyl-4-boronic acid4'-Pentyloxybiphenyl-4-boronic Acid (contains varying amounts of Anhydride)[4'-(Pentyloxy)-[1,1'-biphenyl]-4-yl]boronic Acid

Datenbank-Bezeichner

CAS: 158937-25-8
PubChem CID: 11358071
DTXSID: DTXSID70463507
EC Number: 811-155-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 21
Formalladung: 0
Komplexität: 269

Physikochemische Eigenschaften

Schmelzpunkt: 197 °C · 197°C(lit.)
Siedepunkt: 459.9 · 459.9±55.0 °C(Predicted)
Dichte: 1.11 · 1.11
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
pka: 8.63 · 8.63±0.17(Predicted)
Farbe: White to Almost white
CAS Datenbank: 158937 · 158937-25-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.