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Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)-

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Name

Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)-

EINECS N/A
CAS No. 124170-06-5 Density 1.543 g/cm3
PSA 55.05000 LogP 3.15570
Solubility N/A Melting Point N/A
Formula C7H3F4NO3 Boiling Point 234.7 °C at 760 mmHg
Molecular Weight 225.099 Flash Point 95.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 124170-06-5 (2,4-Difluoro-3-(trifluoromethyl)bromobenzene) Hazard Symbols N/A
Synonyms

1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene;4-Fluoro-3-nitrophenyl trifluoromethyl ether;2-Nitro-4-(trifluoromethoxy)fluorobenzene;

Article Data 3

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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