4-Vinylphenylboronic acid

HCID 2734393

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Grundinformationen

CAS: 2156-04-9
Standard-SMILES: C=Cc1ccc(B(O)O)cc1
InChIKey: QWMJEUJXWVZSAG-UHFFFAOYSA-N
Summenformel: C8H9BO2
Durchschnittliche Molmasse: 147,97 g/mol
Monoisotopische Masse: 148,06955993

Namen und Bezeichner

Bevorzugter Name: 4-Vinylphenylboronic acid
IUPAC: (4-ethenylphenyl)boronic acid
Englischer Name: 4-Vinylphenylboronic acid
Summenformel: C8H9BO2
Molmasse: 147.97

Namen und Synonyme

4-Vinylphenylboronic acid2156-04-9DTXSID10370281RefChem:527098DTXCID90321317629-120-74-Vinylbenzeneboronic Acid(4-ethenylphenyl)boronic Acid(4-vinylphenyl)boronic acidBoronic acid, (4-ethenylphenyl)-MFCD00239441p-Styrylboronic Acid

Weitere Namen anzeigen

AKOS BRN-0053JACS-2156-4-94-BORONOSTYRENE4-VINYLBENZOICACID4-Vinylboronic acidRARECHEM AH PB 02024-Styrylboronic acidstyrene-4-boronic acid

(P-VINYLPHENYL)BORONIC ACID4-Vinyl-phenylboronic acid4-vinyl-phenyl-boronic acidAKOS004116469CS-W007797AB05462AS-2498SY023516

Datenbank-Bezeichner

CAS: 2156-04-9
PubChem CID: 2734393
DTXSID: DTXSID10370281
EC Number: 629-120-7
Nikkaji: J687.906C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 190 · 190-193 °C (lit.)
Siedepunkt: 306.2 · 306.2±35.0 °C(Predicted)
Dichte: 1.09 · 1.09
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 8.62 · 8.62±0.17(Predicted)
Aggregatzustand: Crystalline Powder or Crystals
Farbe: White to light beige
Wasserlöslichkeit: Soluble in ethanol, dimethylsulfoxide, tetrahydrofuran and diethyl ether. Slightly soluble in water.
BRN: 2829387 · 2829387
InChI: 1S/C8H9BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,10-11H,1H2
InChIKey: QWMJEUJXWVZSAG-UHFFFAOYSA-N
SMILES: OB(O)c1ccc(C=C)cc1
CAS Datenbank: 2156 · 2156-04-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (87.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29163990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 37/39-26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Vinylphenylboronic acid is commonly used in the synthesis of styrene-based organoboron polymers such as vinyl-oligo(fluorene) polymer and boronic ester based self-healing polymer. It can also be used as a precursor in the synthesis of aggregation induced emission (AIE) dye.