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CAS No.: | 916792-17-1 |
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Name: | 2-BROMO-4-FLUORO-5-METHYL BENZALDEHYDE |
Molecular Structure: | |
Formula: | C8H6BrFO |
Molecular Weight: | 217.037 |
Synonyms: | 2-Bromo-4-fluoro-5-methylbenzaldehyde; benzaldehyde, 2-bromo-4-fluoro-5-methyl- |
Density: | 1.575 g/cm3 |
Boiling Point: | 256.231 °C at 760 mmHg |
Flash Point: | 108.765 °C |
PSA: | 17.07000 |
LogP: | 2.70910 |
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This chemical is called Benzaldehyde, 2-bromo-4-fluoro-5-methyl-, and its systematic name is 2-bromo-4-fluoro-5-methyl-benzaldehyde. With the molecular formula of C8H6BrFO, its molecular weight is 217.04. The CAS registry number of this chemical is 916792-17-1.
Other characteristics of the Benzaldehyde, 2-bromo-4-fluoro-5-methyl- can be summarised as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.683; (4)ACD/LogD (pH 7.4): 2.683; (5)ACD/BCF (pH 5.5): 64.416; (6)ACD/BCF (pH 7.4): 64.416; (7)ACD/KOC (pH 5.5): 686.265; (8)ACD/KOC (pH 7.4): 686.265; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 45.515 cm3; (15)Molar Volume: 137.769 cm3; (16)Polarizability: 18.043×10-24cm3; (17)Surface Tension: 40.522 dyne/cm; (18)Density: 1.575 g/cm3; (19)Flash Point: 108.765 °C; (20)Enthalpy of Vaporization: 49.374 kJ/mol; (21)Boiling Point: 256.231 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc(c(cc1F)Br)C=O
2.InChI: InChI=1/C8H6BrFO/c1-5-2-6(4-11)7(9)3-8(5)10/h2-4H,1H3
3.InChIKey: GVSFHINXVWRTPT-UHFFFAOYAP