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CAS No.: | 29848-59-7 |
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Name: | 1-BROMO-3-(DIFLUOROMETHYL)BENZENE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H5BrF2 |
Molecular Weight: | 207.018 |
Synonyms: | Toluene,m-bromo-a,a-difluoro- (8CI);1-Bromo-3-difluoromethylbenzene;3-Difluoromethyl-1-bromobenzene; |
Density: | 1.549 g/cm3 |
Boiling Point: | 197.7 °C at 760 mmHg |
Flash Point: | 73.4 °C |
PSA: | 0.00000 |
LogP: | 3.38670 |
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The Benzene, 1-bromo-3-(difluoromethyl)-, with the CAS registry number 29848-59-7, is also known as 1-Bromo-3-difluoromethylbenzene. This chemical's molecular formula is C7H5BrF2 and molecular weight is 207.02. What's more, its IUPAC name is 1-Bromo-3-(difluoromethyl)benzene.
Physical properties about Benzene, 1-bromo-3-(difluoromethyl)- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 211.85; (6)ACD/BCF (pH 7.4): 211.85; (7)ACD/KOC (pH 5.5): 1609.08; (8)ACD/KOC (pH 7.4): 1609.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 39.18 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 15.53×10-24 cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.549 g/cm3; (19)Flash Point: 73.4 °C; (20)Enthalpy of Vaporization: 41.61 kJ/mol; (21)Boiling Point: 197.7 °C at 760 mmHg; (22)Vapour Pressure: 0.526 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)c1cc(Br)ccc1
(2) InChI: InChI=1/C7H5BrF2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H
(3) InChIKey: UJHIUQWUSQZMOL-UHFFFAOYAX