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CAS No.: | 425379-16-4 |
---|---|
Name: | 2-BROMO-3-FLUOROBENZONITRILE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H3BrFN |
Molecular Weight: | 200.01 |
Synonyms: | 2-Bromo-3-fluorobenzonitrile; |
Density: | 1.69 g/cm3 |
Melting Point: | 60.2-61.3 °C |
Boiling Point: | 252.8 °C at 760 mmHg |
Flash Point: | 106.7 °C |
Hazard Symbols: | T |
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The Benzonitrile,2-bromo-3-fluoro-, with the CAS registry number 425379-16-4, is also known as 2-Bromo-3-fluorobenzonitrile 99%. It belongs to the product categories of Nitrile;Aryl; Organohalides. This chemical's molecular formula is C7H3BrFN and molecular weight is 200.0078. Its systematic name is called 2-bromo-3-fluorobenzonitrile. When you are using this chemical, please be cautious about it. This chemical that at low levels cause damage to health.
Physical properties of Benzonitrile,2-bromo-3-fluoro-: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.91; (5)ACD/BCF (pH 7.4): 17.91; (6)ACD/KOC (pH 5.5): 274.51; (7)ACD/KOC (pH 7.4): 274.51; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 39.15 cm3; (11)Molar Volume: 118 cm3; (12)Surface Tension: 48.4 dyne/cm; (13)Density: 1.69 g/cm3; (14)Flash Point: 106.7 °C; (15)Enthalpy of Vaporization: 49.02 kJ/mol; (16)Boiling Point: 252.8 °C at 760 mmHg; (17)Vapour Pressure: 0.0189 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(C#N)c1Br
(2)InChI: InChI=1/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
(3)InChIKey: DBECKESJFGWYFN-UHFFFAOYAH