4,4-Dimethylcyclohexen-1-ylboronic acid

HCID 44119555CAS 865869-28-9

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Grundinformationen

Standard-SMILES: CC1(C)CC=C(B(O)O)CC1
InChIKey: HWFBGGLUEZIDOE-UHFFFAOYSA-N
Summenformel: C8H15BO2
Durchschnittliche Molmasse: 154,02 g/mol
Monoisotopische Masse: 154,1165099

Namen und Bezeichner

Bevorzugter Name: 4,4-Dimethylcyclohexen-1-ylboronic acid
IUPAC: (4,4-dimethylcyclohexen-1-yl)boronic acid
Englischer Name: 4,4-Dimethylcyclohexen-1-ylboronic acid
Summenformel: C8H15BO2
Molmasse: 154.01

Namen und Synonyme

4,4-Dimethylcyclohexen-1-ylboronic acidRefChem:507439692-487-7865869-28-9(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid(4,4-dimethylcyclohexen-1-yl)boronic acidMFCD073637584,4-DIMETHYL-1-CYCLOHEXEN-1-YLBORONIC ACIDBoronic acid, (4,4-dimethyl-1-cyclohexen-1-yl)-SCHEMBL16437414,4-(DIMETHYLCYCLOHEXEN-1-YL)BENZENEBORONIC ACIDDTXSID30657288

Weitere Namen anzeigen

(4,4-dimethyl-1-cyclohexenyl)boronic acid4,4-DiMethylcyclohexene-1-boronic acid, 96%4,4-Dimethylcyclohexen-1-ylboronic acid 97%(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid 98%Boronic acid, B-(4,4-dimethyl-1-cyclohexen-1-yl)-

HWFBGGLUEZIDOE-UHFFFAOYSA-N1-Borono-4,4-dimethylcyclohex-1-eneAKOS006222940AB30703PS-97854,4-dimethyl-cyclohex-1-enylboronic acid4,4-dimethylcyclohexen-1-yl boronic acidSY284935

Datenbank-Bezeichner

CAS: 865869-28-9
PubChem CID: 44119555
DTXSID: DTXSID30657288
EC Number: 692-487-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Schmelzpunkt: 152 · 152-154
Siedepunkt: 264.1 · 264.1±33.0 °C(Predicted)
Dichte: 1 · 1.00±0.1 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
pka: 9.43 · 9.43±0.40(Predicted)
Aggregatzustand: solid
Farbe: white

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 (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)

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