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CAS No.: | 36556-51-1 |
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Name: | 2,3-Dichloro-4-fluoronitrobenzene |
Molecular Structure: | |
Formula: | C6H2Cl2FNO2 |
Molecular Weight: | 209.992 |
Synonyms: | 2,3-DICHLORO-4-FLUORONITROBENZENE, 97% MIN.;2,3-DICHLORO-4-FLUORO-1-NITROBENZENE;2,3-Dichloro-1-fluoro-4-nitrobenzene |
Density: | 1.622 g/cm3 |
Boiling Point: | 265.7 °C at 760 mmHg |
Flash Point: | 114.5 °C |
Hazard Symbols: | T |
PSA: | 45.82000 |
LogP: | 3.56390 |
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The 2,3-Dichloro-4-fluoronitrobenzene is an organic compound with the formula C6H2Cl2FNO2. The IUPAC name of this chemical is 2,3-dichloro-1-fluoro-4-nitrobenzene. With the CAS registry number 36556-51-1, it is also named as 2,3-Dichloro-4-fluoronitrobenzene.
Physical properties about 2,3-Dichloro-4-fluoronitrobenzene are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.42; (4)ACD/BCF (pH 5.5): 40.62; (5)ACD/BCF (pH 7.4): 40.62; (6)ACD/KOC (pH 5.5): 493.37; (7)ACD/KOC (pH 7.4): 493.37; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å2; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 42.58 cm3; (13)Molar Volume: 129.3 cm3; (14)Polarizability: 16.88×10-24cm3; (15)Surface Tension: 48.5 dyne/cm; (16)Density: 1.622 g/cm3; (17)Flash Point: 114.5 °C; (18)Enthalpy of Vaporization: 48.34 kJ/mol; (19)Boiling Point: 265.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0148 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(ccc(F)c1Cl)N(=O)=O
(2)InChI: InChI=1/C6H2Cl2FNO2/c7-5-3(9)1-2-4(6(5)8)10(11)12/h1-2H
(3)InChIKey: QWQJCMSWGFVURH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H2Cl2FNO2/c7-5-3(9)1-2-4(6(5)8)10(11)12/h1-2H
(5)Std. InChIKey: QWQJCMSWGFVURH-UHFFFAOYSA-N