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

Name
4-Bromo-1-trityl-1H-imidazole
EINECS
CAS No. 87941-55-7
Article Data4
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point 248-250 °C(Solv: ethanol (64-17-5))
Formula C₂₂H₁₇BrN₂
Boiling Point 492.5 °C at 760 mmHg
Molecular Weight 389.294
Flash Point 251.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-bromo-1-trityl-imidazole;1H-Imidazole, 4-bromo-1-(triphenylmethyl)-;Bromotritylimidazole;
PSA 17.82000
LogP 5.48580

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

This chemical is called 4-Bromo-1-trityl-1H-imidazole, and it can also be named as 1H-Imidazole, 4-bromo-1-(triphenylmethyl)-. With the molecular formula of C₂₂H₁₇BrN₂, its molecular weight is 389.29. The CAS registry number of this chemical is 87941-55-7, and its product categories are Blocks; Bromides; Imidazoles; API intermediates.

Other characteristics of the 4-Bromo-1-trityl-1H-imidazole can be summarised as followings: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.63; (4)ACD/LogD (pH 7.4): 5.64; (5)ACD/BCF (pH 5.5): 11222.22; (6)ACD/BCF (pH 7.4): 11360.43; (7)ACD/KOC (pH 5.5): 27485.59; (8)ACD/KOC (pH 7.4): 27824.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 108.84 cm³; (15)Molar Volume: 306 cm³; (16)Polarizability: 43.14×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 251.7 °C; (20)Enthalpy of Vaporization: 73.06 kJ/mol; (21)Boiling Point: 492.5 °C at 760 mmHg; (22)Vapour Pressure: 2.31E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1ncn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4
2.InChI: InChI=1/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
3.InChIKey: BSQFJBYJUQJNMZ-UHFFFAOYAT

Product Name

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

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

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