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CAS No.: | 1481-68-1 |
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Name: | 2,4-Difluoro-5-chloronitrobenzene |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C6H2ClF2NO2 |
Molecular Weight: | 193.537 |
Synonyms: | 1-Chloro-2,4-difluoro-5-nitrobenzene;2,4-Difluoro-5-chloronitrobenzene;5-Chloro-2,4-difluoronitrobenzene; |
EINECS: | 216-040-9 |
Density: | 1.591 g/cm3 |
Boiling Point: | 239.042 °C at 760 mmHg |
Flash Point: | 98.369 °C |
PSA: | 45.82000 |
LogP: | 3.04960 |
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The Benzene,1-chloro-2,4-difluoro-5-nitro-, with CAS registry number 1481-68-1, has the systematic name of 1-chloro-2,4-difluoro-5-nitrobenzene. And its IUPAC name is the same one. And the chemical formula of this chemical is C6H2ClF2NO2. What's more, its EINECS is 216-040-9.
Physical properties of Benzene,1-chloro-2,4-difluoro-5-nitro-: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.62; (6)ACD/BCF (pH 7.4): 34.62; (7)ACD/KOC (pH 5.5): 439.98; (8)ACD/KOC (pH 7.4): 439.98; (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: 1.531; (14)Molar Refractivity: 37.68 cm3; (15)Molar Volume: 121.6 cm3; (16)Polarizability: 14.93×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Enthalpy of Vaporization: 45.66 kJ/mol; (19)Vapour Pressure: 0.0633 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(Cl)c(F)c1)[N+]([O-])=O
(2)InChI: InChI=1/C6H2ClF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
(3)InChIKey: UIOYEIHBWQTVJC-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H2ClF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H
(5)Std. InChIKey: UIOYEIHBWQTVJC-UHFFFAOYSA-N