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CAS No.: | 195136-62-0 |
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Name: | 2,4-DIMETHOXY-5-FLUORONITROBENZENE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H8FNO4 |
Molecular Weight: | 201.154 |
Synonyms: | 2,4-Dimethoxy-5-fluoronitrobenzene; |
Density: | 1.31 g/cm3 |
Melting Point: | 151-153 °C |
Boiling Point: | 321.6 °C at 760 mmHg |
Flash Point: | 148.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 64.28000 |
LogP: | 2.27430 |
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The Benzene, 1-fluoro-2,4-dimethoxy-5-nitro-, with the CAS registry number 195136-62-0, is also known as 2,4-Dimethoxy-5-fluoronitrobenzene. This chemical's molecular formula is C8H8FNO4 and molecular weight is 201.15. What's more, both its IUPAC name and systematic name are the same which is called 1-Fluoro-2,4-dimethoxy-5-nitrobenzene.
Physical properties about Benzene, 1-fluoro-2,4-dimethoxy-5-nitro- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.91; (6)ACD/BCF (pH 7.4): 10.91; (7)ACD/KOC (pH 5.5): 192.55; (8)ACD/KOC (pH 7.4): 192.55; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.28 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 46.14 cm3; (15)Molar Volume: 153.4 cm3; (16)Surface Tension: 38.8 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 148.3 °C; (19)Enthalpy of Vaporization: 54.09 kJ/mol; (20)Boiling Point: 321.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000555 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(c(OC)cc1OC)[N+]([O-])=O
(2) InChI: InChI=1S/C8H8FNO4/c1-13-7-4-8(14-2)6(10(11)12)3-5(7)9/h3-4H,1-2H3
(3) InChIKey: KADJLLXINJRFKF-UHFFFAOYSA-N