4-Bromo-1-trityl-1H-imidazole

HCID 2773274

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Grundinformationen

CAS: 87941-55-7
Standard-SMILES: Brc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: BSQFJBYJUQJNMZ-UHFFFAOYSA-N
Summenformel: C22H17BrN2
Durchschnittliche Molmasse: 389,3 g/mol
Monoisotopische Masse: 388,05751

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-1-trityl-1H-imidazole
IUPAC: 4-bromo-1-tritylimidazole
Englischer Name: 4-BROMO-1-TRITYL-1H-IMIDAZOLE
Summenformel: C22H17BrN2
Molmasse: 389.29

Namen und Synonyme

4-Bromo-1-trityl-1H-imidazole87941-55-7DTXSID10378328RefChem:290533DTXCID10329355689-710-54-bromo-1-tritylimidazole4-bromo-1-(triphenylmethyl)-1H-imidazoleMFCD001856574-Bromo-1-trityl-1H-imidazole; 4-Bromo-1-tritylimidazole4-Bromo-1-trityl-1H-imidazde1H-Imidazole, 4-bromo-1-(triphenylmethyl)-

Weitere Namen anzeigen

1-Trityl-4-BroMo IMidazole4-Bromo-1-[tris(phenyl)methyl]-1H-imidazole4-bromo-1-[2-(diphenylmethyl)phenyl]imidazole

4-Bromo-1-trityl-imidazoleSCHEMBL1982002BSQFJBYJUQJNMZ-UHFFFAOYSA-N4-bromo-1-triphenylmethyl-imidazoleALBB-034634CS-M3677AKOS007930519AB04448

Datenbank-Bezeichner

CAS: 87941-55-7
PubChem CID: 2773274
DTXSID: DTXSID10378328
EC Number: 689-710-5
Nikkaji: J3.078.088D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,8
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 25
Formalladung: 0
Komplexität: 363

Physikochemische Eigenschaften

Schmelzpunkt: 248 · 248-250 °C(Solv: ethanol (64-17-5))
Siedepunkt: 492.5 · 492.5±40.0 °C(Predicted)
Dichte: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 3.6 · 3.60±0.61(Predicted)
InChI: InChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey: BSQFJBYJUQJNMZ-UHFFFAOYSA-N
SMILES: C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(Br)N=1
CAS Datenbank: 87941 · 87941-55-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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 2 reports by companies from 2 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.