2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 10755376

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Grundinformationen

CAS: 68716-49-4
Standard-SMILES: CC1(C)OB(c2ccc(Br)cc2)OC1(C)C
InChIKey: AZCNDGAXOZWQPV-UHFFFAOYSA-N
Summenformel: C12H16BBrO2
Durchschnittliche Molmasse: 282,97 g/mol
Monoisotopische Masse: 282,04267

Namen und Bezeichner

Bevorzugter Name: 2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: 2-(4-Bromo-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
Summenformel: C12H16BBrO2
Molmasse: 282.97

Namen und Synonyme

2-(4-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID30444493RefChem:457090DTXCID7039531468716-49-44-Bromophenylboronic acid pinacol ester4-Bromophenylboronic acid, pinacol ester1,3,2-Dioxaborolane, 2-(4-bromophenyl)-4,4,5,5-tetramethyl-MFCD111105532-(4-bromo-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneAKOS0160047124-Bromophenylboronic acid,pinacol ester

Weitere Namen anzeigen

4-naxol bromoenborate4-Bromobenzeneboronic acid pinacol ester2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >1-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (ACI)

EN300-316477FT-0739764(4-BROMOPHENYL)BORONIC ACID PINACOL ESTERSCHEMBL171682SCHEMBL3142593AZCNDGAXOZWQPV-UHFFFAOYSA-NAS-2516NCGC00662706-01

Datenbank-Bezeichner

CAS: 68716-49-4
PubChem CID: 10755376
DTXSID: DTXSID30444493
EC Number: 801-957-4
Nikkaji: J1.423.512D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 244

Physikochemische Eigenschaften

Schmelzpunkt: 69 to · 69.0 to 73.0 °C
Siedepunkt: 324.1 · 324.1±25.0 °C(Predicted)
Dichte: 1.29 · 1.29±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Almost white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 3 reports by companies from 3 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.