2-Vinylbenzeneboronic acid

HCID 2773587CAS 15016-42-9

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Grundinformationen

Standard-SMILES: C=Cc1ccccc1B(O)O
InChIKey: QHFAXRHEKNHTDH-UHFFFAOYSA-N
Summenformel: C8H9BO2
Durchschnittliche Molmasse: 147,97 g/mol
Monoisotopische Masse: 148,0695597

Namen und Bezeichner

Bevorzugter Name: 2-Vinylbenzeneboronic acid
IUPAC: (2-ethenylphenyl)boronic acid
Englischer Name: 2-Vinylphenylboronic acid
Summenformel: C8H9BO2
Molmasse: 147.97

Namen und Synonyme

2-Vinylbenzeneboronic acidB-(2-ETHENYLPHENYL)BORONIC ACIDRefChem:483858681-433-82-Vinylphenylboronic acid15016-42-9(2-vinylphenyl)boronic acid(2-ethenylphenyl)boronic AcidMFCD01074659Boronic acid, (ethenylphenyl)-Boronic acid, B-(2-ethenylphenyl)-STYRENE-2-BORONIC ACID

Weitere Namen anzeigen

AKOS BRN-01412-BORONOSTYRENERARECHEM AH PB 02102-VinylphenylboronicAci2-Vinylphenylboronic acid - [V5638]

2-vinyl benzene boronic acidAKOS004116554CS-W016344AB08106SY025003V01402-Vinylphenylboronic Acid (contains varying amounts of Anhydride)2-Vinylphenylboronicacid

Datenbank-Bezeichner

CAS: 15016-42-9
PubChem CID: 2773587
DTXSID: DTXSID80378577
EC Number: 681-433-8、929-220-3
Nikkaji: J1.634.713B

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: 136

Physikochemische Eigenschaften

Schmelzpunkt: 105 · 105-107°C
Siedepunkt: 313.7 · 313.7±35.0 °C(Predicted)
Dichte: 1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 8.53 · 8.53±0.58(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: Insoluble in water.
BRN: 3030430 · 3030430
InChI: 1S/C8H9BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6,10-11H,1H2
InChIKey: QHFAXRHEKNHTDH-UHFFFAOYSA-N
SMILES: OB(O)c1ccccc1C=C
CAS Datenbank: 15016 · 15016-42-9(CAS DataBase Reference)

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]；H335 (85.7%): 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 7 reports by companies from 4 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.