Grundinformationen
- Standard-SMILES
OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1- InChIKey
MFEWNFVBWPABCX-UHFFFAOYSA-N- Summenformel
- C26H22O2
- Durchschnittliche Molmasse
- 366,4 g/mol
- Monoisotopische Masse
- 366,16197994
Namen und Bezeichner
- Bevorzugter Name
- Benzopinacol
- IUPAC
- 1,1,2,2-tetraphenylethane-1,2-diol
- Lokaler Name
- 1,1,2,2-Tetraphenylethan-1,2-diol
- Englischer Name
- Benzopinacole
- Summenformel
- C26H22O2
- Molmasse
- 366.45
Namen und Synonyme
Benzopinacol464-72-21,1,2,2-Tetraphenylethane-1,2-diolBenzpinaconeTetraphenylethylene glycolBenzopinaconeBenzpinacol1,1,2,2-Tetraphenyl-1,2-ethanediolBenzophenone pinacolTetraphenyl-1,2-ethanediol1,2-Ethanediol, 1,1,2,2-tetraphenyl-alpha,alpha'-Bibenzhydrol
Weitere Namen anzeigen
benzeneolBenzopicoleBENZOPINACONBENZOPINACOLEBenzopinacol,97%Benzopinacol >
1,1,2,2-Tetraphenylethylene glycolNSC 120377EINECS 207-356-84VNT36L0QZAI3-09213NSC-1973BENZOPINACOL [MI]NSC-120377
Datenbank-Bezeichner
- CAS
464-72-2- PubChem CID
- 94766
- DTXSID
DTXSID2060048- UNII
- 4VNT36L0QZ
- EC Number
- 207-356-8
- Nikkaji
- J9.369F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 383
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionSolid; [Merck Index] White crystalline powder; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 171 · 171-173 °C(lit.)
- Siedepunkt
- 457.21 °C · 457.21°C (rough estimate)
- Dichte
- 1.0629 · 1.0629 (rough estimate)
- Brechungsindex
- 1.4875 · 1.4875 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly, Sonicated), DMSO (Slightly, Heated, Sonicated)
- Aggregatzustand
- Powder or Crystals
- pka
- 12.78 · 12.78±0.29(Predicted)
- Farbe
- White to slightly yellow
- Wasserlöslichkeit
- insoluble
- Merck
- 14 · 14,1100
- BRN
- 2061947 · 2061947
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H
- InChIKey
- MFEWNFVBWPABCX-UHFFFAOYSA-N
- SMILES
- OC(c1ccccc1)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4
- CAS Datenbank
- 464 · 464-72-2(CAS DataBase Reference)
- NIST chemische Informationen
- Benzopinacol(464-72-2)
- EPA chemische Informationen
- 1 · 1,2-Ethanediol, 1,1,2,2-tetraphenyl- (464-72-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.1% (66 of 68) of all reports.
Not Classified
Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information1,2-Ethanediol, 1,1,2,2-tetraphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 29062900
- RTECS-Nr.
- KI2750000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 22-24/25-36-26
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an intermediate in organic syntheses; [REPROTOX]
General Manufacturing Information1,2-Ethanediol, 1,1,2,2-tetraphenyl-: ACTIVE
Anwendungen
Verwenden1,1,2,2-Tetraphenylethane-1,2-diol can be used as a flame resistant resin.
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