1H-Imidazole, 5-bromo-4-chloro- supplier

Name
4-Bromo-5-chloroimidazole
EINECS
CAS No. 17487-98-8
Article Data2
CAS DataBase
Density 2.035 g/cm³
Solubility
Melting Point
Formula C₃H₂BrClN₂
Boiling Point 367.3 °C at 760 mmHg
Molecular Weight 181.419
Flash Point 175.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole,4-bromo-5-chloro- (9CI);Imidazole, 4-bromo-5-chloro- (8CI);4-Bromo-5-chloroimidazole;NSC 222404;
PSA 28.68000
LogP 1.82560

1H-Imidazole, 5-bromo-4-chloro- Specification

This chemical is called 1H-Imidazole, 5-bromo-4-chloro-, and its systematic name is 4-bromo-5-chloro-1H-imidazole. With the molecular formula of C₃H₂BrClN₂, its molecular weight is 181.42. The CAS registry number of this chemical is 17487-98-8.

Other characteristics of the 1H-Imidazole, 5-bromo-4-chloro- can be summarised as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.81; (6)ACD/BCF (pH 7.4): 17.76; (7)ACD/KOC (pH 5.5): 273.42; (8)ACD/KOC (pH 7.4): 272.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 31.36 cm³; (15)Molar Volume: 89.1 cm³; (16)Polarizability: 12.43×10^-24cm³; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 2.035 g/cm³; (19)Flash Point: 175.9 °C; (20)Enthalpy of Vaporization: 58.97 kJ/mol; (21)Boiling Point: 367.3 °C at 760 mmHg; (22)Vapour Pressure: 2.91E-05 mmHg at 25°C.

Uses of this chemical: The 1H-Imidazole, 5-bromo-4-chloro- could react with chloro-triphenyl-methane, and obtain the 4-bromo-5-chloro-1-tritylimidazole. This reaction needs the reagent of triethylamine, and the solvent of benzene. The yield is 64 %.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1ncnc1Cl
2.InChI: InChI=1/C3H2BrClN2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
3.InChIKey: KRHIYYYHTXGSDW-UHFFFAOYAB

Product Name

4-Bromo-5-chloroimidazole

1H-Imidazole, 5-bromo-4-chloro- Specification

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