1-Cyclohexenylboronic acid

HCID 3862902CAS 89490-05-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: OB(O)C1=CCCCC1
InChIKey: XZWQKJXJNKYMAP-UHFFFAOYSA-N
Summenformel: C6H11BO2
Durchschnittliche Molmasse: 125,96 g/mol
Monoisotopische Masse: 126,08520999

Namen und Bezeichner

Bevorzugter Name: 1-Cyclohexenylboronic acid
IUPAC: cyclohexen-1-ylboronic acid
Englischer Name: 1-Cyclohexenylboronic acid
Summenformel: C6H11BO2
Molmasse: 125.96

Namen und Synonyme

1-cyclohexenylboronic AcidRefChem:431640689-061-889490-05-1cyclohex-1-en-1-ylboronic acidcyclohexen-1-ylboronic acidcyclohexenylboronic acid1-CYCLOHEXEN-1-YL-BORONIC ACID1-Cyclohexen-1-ylboronic acid(CYCLOHEX-1-EN-1-YL)BORONIC ACIDCYCLOHEX-1-ENYLBORONIC ACIDCyclohexen-1-yl-Boronic Acid

Weitere Namen anzeigen

1-Cyclohexene boric acidohexen-1-yLCyclohexene boric acid1-Boronocyclohex-1-eneCLOHEXEN-1-YLBORONIC ACIDCyclohexene-1-boronicacid

MFCD02179497CYCLOHEXENE-1-BORONIC ACIDcyclohexen-1-yl boronic acid1-cyclohexeneboronic acidBoronic acid, 1-cyclohexen-1-yl-cyclohexene boronic acidcyclohexen-2-ylboronic acidcyclohex-1-en-ylboronic acid

Datenbank-Bezeichner

CAS: 89490-05-1
PubChem CID: 3862902
DTXSID: DTXSID90397532
UNII: EYS87MAP7B
EC Number: 689-061-8
Nikkaji: J1.739.225E

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Schmelzpunkt: 165 °C · 165°C
Siedepunkt: 261.9 · 261.9±33.0 °C(Predicted)
Dichte: 1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: Powder
pka: 9.43 · 9.43±0.20(Predicted)
Farbe: White to off-white
InChI: InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChIKey: XZWQKJXJNKYMAP-UHFFFAOYSA-N
SMILES: C1CCCCC=1B(O)O
CAS Datenbank: 89490 · 89490-05-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 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 (25%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-60-37
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden1-Cyclohexenylboronic acid serves as an alkenyl substrate in a one-pot bimetal catalytic system with DABSO and O-benzoyl hydroxylamines to afford the corresponding sulfonamide product 4-(1-cyclohexen-1-ylsulfonyl)morpholine[2].