Bis(neopentyl glycolato)diboron

HCID 2734316

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Grundinformationen

CAS: 201733-56-4
Standard-SMILES: CC1(C)COB(B2OCC(C)(C)CO2)OC1
InChIKey: MDNDJMCSXOXBFZ-UHFFFAOYSA-N
Summenformel: C10H20B2O4
Durchschnittliche Molmasse: 225,9 g/mol
Monoisotopische Masse: 226,15476992

Namen und Bezeichner

Bevorzugter Name: Bis(neopentyl glycolato)diboron
IUPAC: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
Englischer Name: Bis(neopentyl glycolato)diboron
Summenformel: C10H20B2O4
Molmasse: 225.89

Namen und Synonyme

Bis(neopentyl glycolato)diboron5,5,5',5'-tetramethyl-2,2'-bi(1,3,2-dioxaborinane)DTXSID70370207RefChem:569197DTXCID60321243639-407-9201733-56-4Bis(neopentylglycolato)diboron2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane2,2'-Bi-1,3,2-dioxaborinane, 5,5,5',5'-tetramethyl-MFCD020930625,5,5',5'-Tetramethyl-2,2'-bi-1,3,2-dioxaborinane

Weitere Namen anzeigen

Neopentyl glycol diborateBis(neopentyl glycolato)diboron,98%Bis(neopentyL-2-yl)-9H-CarbazoleBis(neopentanediolato)diboronBIS(NEOPENTYLGLYCOLATO)DIBORNBis(neopentylglycolate)diboron

Bis(neopentylglycolato) diboronC10H20B2O4TU2GUX2HET5,5,5',5'-Tetramethyl-2,2'-bi-1,3,2-dioxaborinane; Bis(neopentanediolato)diboron;UNII-TU2GUX2HETEC 639-407-9SCHEMBL449902bis(neopentylglycolato)-diboron

Datenbank-Bezeichner

CAS: 201733-56-4
PubChem CID: 2734316
DTXSID: DTXSID70370207
UNII: TU2GUX2HET
EC Number: 639-407-9
Nikkaji: J1.512.193I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 36,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 211

Physikochemische Eigenschaften

Schmelzpunkt: 180.5 · 180.5-184.5 °C(lit.)
Siedepunkt: 214.3 · 214.3±7.0 °C(Predicted)
Dichte: 0.99 · 0.99±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 8839038 · 8839038
InChI: InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3
InChIKey: MDNDJMCSXOXBFZ-UHFFFAOYSA-N
SMILES: O1CC(C)(C)COB1B1OCC(C)(C)CO1
CAS Datenbank: 201733 · 201733-56-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 15.4% (2 of 13) of reports.

Warning

H315 (76.9%): Causes skin irritation [Warning Skin corrosion/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 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.