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CAS No.: | 169468-80-8 |
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Name: | 4-CHLORO-2,3-DIFLUORONITROBENZENE |
Molecular Structure: | |
Formula: | C6H2ClF2NO2 |
Molecular Weight: | 193.537 |
Synonyms: | 4-Chloro-2,3-difluoronitrobenzene; |
Density: | 1.591 g/cm3 |
Boiling Point: | 251.218 °C at 760 mmHg |
Flash Point: | 105.733 °C |
Appearance: | light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 45.82000 |
LogP: | 3.04960 |
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The Benzene,1-chloro-2,3-difluoro-4-nitro-, with CAS registry number 169468-80-8, has the systematic name of 1-chloro-2,3-difluoro-4-nitrobenzene. Besides this, it is also called 4-Chloro-2,3-difluoronitrobenzene. This chemical is a kind of light yellow liquid. And the chemical formula of this chemical is C6H2ClF2NO2.
Physical properties of Benzene,1-chloro-2,3-difluoro-4-nitro-: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 248; (8)ACD/KOC (pH 7.4): 248; (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: 1.532; (14)Molar Refractivity: 37.681 cm3; (15)Molar Volume: 121.645 cm3; (16)Polarizability: 14.938×10-24cm3; (17)Surface Tension: 43.763 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 105.733 °C; (20)Enthalpy of Vaporization: 46.876 kJ/mol; (21)Boiling Point: 251.218 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(ccc(Cl)c1F)[N+]([O-])=O
(2)InChI: InChI=1/C6H2ClF2NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
(3)InChIKey: OFQRRFRIDGZHSC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H2ClF2NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
(5)Std. InChIKey: OFQRRFRIDGZHSC-UHFFFAOYSA-N