-
Name
2,4-Difluoro-3-(trifluoromethyl)bromobenzene
- EINECS
- CAS No. 124170-06-5
- Article Data3
- CAS DataBase
- Density 1.543 g/cm3
- Solubility
- Melting Point
- Formula C7H3F4NO3
- Boiling Point 234.7 °C at 760 mmHg
- Molecular Weight 225.099
- Flash Point 95.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene;4-Fluoro-3-nitrophenyl trifluoromethyl ether;2-Nitro-4-(trifluoromethoxy)fluorobenzene;
- PSA 55.05000
- LogP 3.15570
Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)- Specification
The Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)-, with the CAS registry number 124170-06-5, is also known as 4-Fluoro-3-nitrophenyl trifluoromethyl ether. This chemical's molecular formula is C7H3F4NO3 and molecular weight is 225.1. What's more, its systematic name is 1-fluoro-2-nitro-4-(trifluoromethoxy)benzene.
Physical properties of Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 116.07; (6)ACD/BCF (pH 7.4): 116.07; (7)ACD/KOC (pH 5.5): 1046.03; (8)ACD/KOC (pH 7.4): 1046.03; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 39.92 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 15.82×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.543 g/cm3; (19)Flash Point: 95.7 °C; (20)Enthalpy of Vaporization: 45.23 kJ/mol; (21)Boiling Point: 234.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0799 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(F)c(c1)N(=O)=O
(2)InChI: InChI=1S/C7H3F4NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
(3)InChIKey: XWFNBCCMBGKMFB-UHFFFAOYSA-N
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