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CAS No.: | 885520-35-4 |
---|---|
Name: | 4-BROMO-6-FLUORO (1H)INDAZOLE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H4BrFN2 |
Molecular Weight: | 215.025 |
Synonyms: | 1H-Indazole,4-bromo-6-fluoro-; |
Density: | 1.861 g/cm3 |
Boiling Point: | 331.3 °C at 760 mmHg |
Flash Point: | 154.1 °C |
PSA: | 28.68000 |
LogP: | 2.46450 |
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The IUPAC name of this chemical is 4-Bromo-6-fluoro-1H-indazole. With the CAS registry number 885520-35-4, it is also named as 1H-Indazole,4-bromo-6-fluoro-. In addition, the molecular formula is C7H4BrFN2 and the molecular weight is 215.02. And it should be stored in a cool and dry place.
Physical properties about 4-Bromo-6-fluoro-1H-indazole are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63 ; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Polar Surface Area: 28.68 Å2; (7)Index of Refraction: 1.693; (8)Molar Refractivity: 44.3 cm3; (9)Molar Volume: 115.4 cm3; (10)Polarizability: 17.56 ×10-24cm3; (11)Surface Tension: 60.7 dyne/cm; (12)Density: 1.861 g/cm3; (13)Flash Point: 154.1 °C; (14)Enthalpy of Vaporization: 55.12 kJ/mol; (15)Boiling Point: 331.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000303 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c2c1[nH]nc2)Br)F
(2)InChI: InChI=1/C7H4BrFN2/c8-6-1-4(9)2-7-5(6)3-10-11-7/h1-3H,(H,10,11)
(3)InChIKey: VUKKRGQLFZMXNZ-UHFFFAOYAD