-
Name
4-(BROMODIFLUOROMETHYL)-1-(DIFLUOROMETHYL)BENZENE
- EINECS
- CAS No. 2250-36-4
- Article Data2
- CAS DataBase
- Density 1.62g/cm3
- Solubility
- Melting Point
- Formula C8H5BrF4
- Boiling Point 205 °C at 760 mmHg
- Molecular Weight 257.025
- Flash Point 100.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms p-Xylene, a-bromo-a,a,a',a'-tetrafluoro- (7CI,8CI);1-(Bromodifluoromethyl)-4-(difluoromethyl)benzene;
- PSA 0.00000
- LogP 4.06840
Benzene,1-(bromodifluoromethyl)-4-(difluoromethyl)- Specification
The Benzene,1-(bromodifluoromethyl)-4-(difluoromethyl)-, with CAS registry number 2250-36-4, has the systematic name of 1-[bromo(difluoro)methyl]-4-(difluoromethyl)benzene. Besides this, it is also called 4-(Bromodifluoromethyl)-1-(difluoromethyl)benzene. And the chemical formula of this chemical is C8H5BrF4.
Physical properties of Benzene,1-(bromodifluoromethyl)-4-(difluoromethyl)-: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 845.32; (6)ACD/BCF (pH 7.4): 845.32; (7)ACD/KOC (pH 5.5): 4332.73; (8)ACD/KOC (pH 7.4): 4332.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 44.04 cm3; (15)Molar Volume: 158.6 cm3; (16)Polarizability: 17.46×10-24cm3; (17)Surface Tension: 26.9 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 100.8 °C; (20)Enthalpy of Vaporization: 42.32 kJ/mol; (21)Boiling Point: 205 °C at 760 mmHg; (22)Vapour Pressure: 0.366 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(Br)(F)c1ccc(cc1)C(F)F
(2)InChI: InChI=1/C8H5BrF4/c9-8(12,13)6-3-1-5(2-4-6)7(10)11/h1-4,7H
(3)InChIKey: UMPAJVIZHYIUJM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H5BrF4/c9-8(12,13)6-3-1-5(2-4-6)7(10)11/h1-4,7H
(5)Std. InChIKey: UMPAJVIZHYIUJM-UHFFFAOYSA-N
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