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CAS No.: | 179617-08-4 |
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Name: | 5-BROMO-1,3-DIFLUORO-2-METHYLBENZENE |
Molecular Structure: | |
Formula: | C7H5BrF2 |
Molecular Weight: | 207.02 |
Synonyms: | 5-Bromo-1,3-difluoro-2-methylbenzene;Benzene, 5-bromo-1,3-difluoro-2-methyl-; |
Density: | 1.588 g/cm3 |
Boiling Point: | 176 °C at 760 mmHg |
Flash Point: | 60.3 °C |
Hazard Symbols: | Xi |
PSA: | 0.00000 |
LogP: | 3.03570 |
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This chemical is called 4-Bromo-2,6-difluorotoluene, and it can also be named as Benzene, 5-bromo-1,3-difluoro-2-methyl-. With the molecular formula of C7H5BrF2, its molecular weight is 207.02. The CAS registry number of this chemical is 179617-08-4, and its systematic name is 5-Bromo-1,3-difluoro-2-methylbenzene.
Other characteristics of the 4-Bromo-2,6-difluorotoluene can be summarised as followings: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 304.93; (6)ACD/BCF (pH 7.4): 304.93; (7)ACD/KOC (pH 5.5): 2088.33; (8)ACD/KOC (pH 7.4): 2088.33; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 38.75 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 15.36×10-24 cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.588 g/cm3; (19)Flash Point: 60.3 °C; (20)Enthalpy of Vaporization: 39.54 kJ/mol; (21)Boiling Point: 176 °C at 760 mmHg; (22)Vapour Pressure: 1.5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(c(F)cc(Br)c1)C
2.InChI: InChI=1/C7H5BrF2/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
3.InChIKey: NGINOAWMGMGBPJ-UHFFFAOYAE