2,2'-Dibromo-1,1'-binaphthyl

HCID 619909CAS 74866-28-7

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Grundinformationen

Standard-SMILES: Brc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12
InChIKey: IJUDEFZBMMRSNM-UHFFFAOYSA-N
Summenformel: C20H12Br2
Durchschnittliche Molmasse: 412,1 g/mol
Monoisotopische Masse: 409,93058

Namen und Bezeichner

Bevorzugter Name: 2,2'-Dibromo-1,1'-binaphthyl
IUPAC: 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene
Englischer Name: 2,2'-Dibromo-1,1'-binaphthyl
Summenformel: C20H12Br2
Molmasse: 412.12

Namen und Synonyme

74866-28-72,2'-DIBROMO-1,1'-BINAPHTHYLDTXSID60347302RefChem:440257DTXCID50298374626-733-1150024-49-02,2'-Dibromo-1,1'-binaphthalene86688-08-62,2-dibromo-1,1-binaphthyl(1S)-2,2'-Dibromo-1,1'-binaphthalene(1R)-2,2'-Dibromo-1,1'-binaphthalene

Weitere Namen anzeigen

SKL192JACS-74866-28-7Binaphthalene dibromide2,2'-diboromo-binaphthyl2,2`-DibroMo-1,1`-Binaphtyl1,1'-Bi(2-bromonaphthalene)2,2'-Dibromo-1,1'-binapthyl2,2'-DIBROMO-1,1'-DINAPHTHYL

2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene(S)-2,2'-Dibromo-1,1'-binaphthaleneMFCD00188005(R)-2,2'-Dibromo-1,1'-binaphthalene1,1'-Binaphthalene, 2,2'-dibromo-()-2,2-Dibromo-1,1-binaphthyl(+/-)-2,2-Dibromo-1,1-Binaphthyl2-bromo-1-(2-bromo-1-naphthyl)naphthalene

Datenbank-Bezeichner

CAS: 74866-28-7
PubChem CID: 619909
DTXSID: DTXSID60347302
EC Number: 626-733-1
Nikkaji: J134.905H、J2.936.462A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 22
Formalladung: 0
Komplexität: 346

Physikochemische Eigenschaften

Schmelzpunkt: 178 · 178-183 °C
Siedepunkt: 178 · 178-183°C
Dichte: 1.614 · 1.614±0.06 g/cm3(Predicted)
Flammpunkt: 178 · 178-183°C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: Powder
Farbe: white to off-white
Wasserlöslichkeit: Sparingly Soluble in water.
InChI: 1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H
InChIKey: IJUDEFZBMMRSNM-UHFFFAOYSA-N
SMILES: Brc1ccc2ccccc2c1-c3c(Br)ccc4ccccc34
CAS Datenbank: 74866 · 74866-28-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (88.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)；Aquatic Chronic 4 (88.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2903.99.8001
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4

Chemie und Industrie

Anwendungen

VerwendenThe synthesis of this class of compounds relies on the lithiation of racemic 2,2'-dibromo-1,1'-binaphthyl with t-BuLi followed by addition of Ph 2 PCl.