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CAS No.: | 15952-70-2 |
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Name: | 2,4-Difluoro-3,5-dichloronitrobenzene |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6HCl2F2NO2 |
Molecular Weight: | 227.982 |
Synonyms: | 1,3-Dichloro-2,4-difluoro-5-nitrobenzene;3,5-Dichloro-2,4-difluoronitrobenzene; |
Density: | 1.706 g/cm3 |
Boiling Point: | 268 °C at 760 mmHg |
Flash Point: | 115.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 45.82000 |
LogP: | 3.70300 |
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The Benzene,1,3-dichloro-2,4-difluoro-5-nitro-, with CAS registry number 15952-70-2, has the systematic name of 1,3-dichloro-2,4-difluoro-5-nitrobenzene. Besides this, it is also called benzene, 1,3-dichloro-2,4-difluoro-5-nitro-. And the chemical formula of this chemical is C6HCl2F2NO2.
Physical properties of Benzene,1,3-dichloro-2,4-difluoro-5-nitro-: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 173.32; (6)ACD/BCF (pH 7.4): 173.32; (7)ACD/KOC (pH 5.5): 1393.74; (8)ACD/KOC (pH 7.4): 1393.74; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 42.57 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 16.87×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Enthalpy of Vaporization: 48.56 kJ/mol; (19)Vapour Pressure: 0.013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(F)c(Cl)c1F)[N+]([O-])=O
(2)InChI: InChI=1/C6HCl2F2NO2/c7-2-1-3(11(12)13)6(10)4(8)5(2)9/h1H
(3)InChIKey: OWALCRQILZGQDH-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6HCl2F2NO2/c7-2-1-3(11(12)13)6(10)4(8)5(2)9/h1H
(5)Std. InChIKey: OWALCRQILZGQDH-UHFFFAOYSA-N