1H-Imidazole,1-(bromodifluoromethyl)- supplier

Name
1-BROMODIFLUOROMETHYL-IMIDAZOLE
EINECS
CAS No. 328406-16-2
Article Data3
CAS DataBase
Density 1.83 g/cm³
Solubility
Melting Point
Formula C₄H₃BrF₂N₂
Boiling Point 195.3 °C at 760 mmHg
Molecular Weight 196.982
Flash Point 71.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[Bromo(difluoro)methyl]-1H-imidazole;1-Bromodifluoromethyl-imidazole;
PSA 17.82000
LogP 1.78480

1H-Imidazole,1-(bromodifluoromethyl)- Specification

The 1H-Imidazole,1-(bromodifluoromethyl)-, with the CAS registry number 328406-16-2, is also known as 1-Bromodifluoromethyl-imidazole. This chemical's molecular formula is C₄H₃BrF₂N₂ and molecular weight is 196.98. What's more, its systematic name is 1-[bromo(difluoro)methyl]-1H-imidazole.

Physical properties of 1H-Imidazole,1-(bromodifluoromethyl)- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.82 Å²; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 33.26 cm³; (11)Molar Volume: 107.4 cm³; (12)Polarizability: 13.18×10^-24cm³; (13)Surface Tension: 37.9 dyne/cm; (14)Density: 1.83 g/cm³; (15)Flash Point: 71.9 °C; (16)Enthalpy of Vaporization: 41.39 kJ/mol; (17)Boiling Point: 195.3 °C at 760 mmHg; (18)Vapour Pressure: 0.591 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn(cn1)C(F)(F)Br
(2)InChI: InChI=1S/C4H3BrF2N2/c5-4(6,7)9-2-1-8-3-9/h1-3H
(3)InChIKey: ZGLDNIBYPINLFD-UHFFFAOYSA-N

Product Name

1-BROMODIFLUOROMETHYL-IMIDAZOLE

1H-Imidazole,1-(bromodifluoromethyl)- Specification

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