4,4'-Di-tert-butyl-1,1'-biphenyl

4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl

HCID 74195CAS 1625-91-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIKey: CDKCEZNPAYWORX-UHFFFAOYSA-N
Summenformel: C20H26
Durchschnittliche Molmasse: 266,4 g/mol
Monoisotopische Masse: 266,20345083

Überblick

used in ammonia-free reductions

Namen und Bezeichner

Bevorzugter Name: 4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl
IUPAC: 1-tert-butyl-4-(4-tert-butylphenyl)benzene
Lokaler Name: 4,4'-Di-tert-butyl-1,1'-biphenyl
Englischer Name: 4,4'-Di-tert-butylbiphenyl
Summenformel: C20H26
Molmasse: 266.42

Namen und Synonyme

1625-91-84,4'-di-tert-Butylbiphenyl4,4'-Di-tert-butyl-1,1'-biphenylDTXSID404819343DA8ZRT2NDTXCID50281684,4'-Bis(1,1-dimethylethyl)-1,1'-biphenylDBB biphenyl cpdDTBB cpdRefChem:506592216-615-41-tert-butyl-4-(4-tert-butylphenyl)benzene

Weitere Namen anzeigen

4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl4,4'-Di-tert-butyLTIMTEC-BB SBB0078124,4'-Di-t-butylbiphenyl, 99+%4,4'-Di-tert-butylbiphenyl>4,4'-Bis(tert-butyl)-biphenyl

4,4'-di-t-Butylbiphenyl1,1'-Biphenyl, 4,4'-bis(1,1-dimethylethyl)-C20H26MFCD000088341-(tert-butyl)-4-[4-(tert-butyl)phenyl]benzeneEINECS 216-615-44,4'-di-tert-butyl biphenyl4,4/'-Di-tert-Butylbiphenyl

Datenbank-Bezeichner

CAS: 1625-91-8
PubChem CID: 74195
DTXSID: DTXSID4048193
ChEMBL: CHEMBL3187007
UNII: 43DA8ZRT2N
EC Number: 216-615-4
Nikkaji: J80.265D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Schmelzpunkt: 126 · 126-130 °C(lit.)
Siedepunkt: 190 · 190-192 °C13 mm Hg(lit.)
Dichte: 0.9463 · 0.9463 (estimate)
Brechungsindex: 1.5928 · 1.5928 (estimate)
Flammpunkt: 190 · 190-192°C/13mm
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 0.1 g/mL, · dioxane: 0.1 g/mL, clear
Aggregatzustand: Crystalline Powder
Farbe: Light yellow to yellow-orange
BRN: 2095855 · 2095855
InChI: InChI=1S/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3
InChIKey: CDKCEZNPAYWORX-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C(C)(C)C)C=C2)=CC=C(C(C)(C)C)C=C1
CAS Datenbank: 1625 · 1625-91-8(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4,4'-Di-tert-butylbiphenyl(1625-91-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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)

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

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29029090
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIt is used in the generation of 1,2-di(lithiomethyl)benzene. It is found to accept electrons from Li metal to give a radical anion which is highly effective in the conversion of alkyl halides to alkyllithiums. 4,4-Di-tert-butylbiphenyl is used in production of homoallylic amine derivatives. It is also used in the preparation of lithium di-tert-butylbiphenylide, a radical anion, superior to sodium or lithium naphthalenides for metalation reactions. Along with lithium, 4,4-Di-tert-butylbiphenyl catalyzes; reaction of chloromethyl ethyl ether and different carbonyl compounds to yield corresponding hydroxyethers and reductive opening of N-phenylazetidine.