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CAS No.: | 36556-52-2 |
---|---|
Name: | 2,3-Dichloro-4-fluoroaniline |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H4Cl2FN |
Molecular Weight: | 180.01 |
Synonyms: | 2,3-Dichloro-4-fluoroaniline 93%;2,3-Dichloro-4-fluoroaniline93%;1-Amino-2,3-dichloro-4-fluorobenzene;2,3-Dichloro-4-fluorobenzenamine |
Density: | 1.502 g/cm3 |
Boiling Point: | 253.3 °C at 760 mmHg |
Flash Point: | 107 °C |
PSA: | 26.02000 |
LogP: | 3.29590 |
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The Benzenamine,2,3-dichloro-4-fluoro-, with CAS registry number 36556-52-2, has the systematic name of 2,3-dichloro-4-fluoroaniline. Besides this, it is also called benzenamine, 2,3-dichloro-4-fluoro-. And the chemical formula of this chemical is C6H4Cl2FN.
Physical properties of Benzenamine,2,3-dichloro-4-fluoro-: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.5; (6)ACD/BCF (pH 7.4): 50.51; (7)ACD/KOC (pH 5.5): 576.54; (8)ACD/KOC (pH 7.4): 576.62; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 40.27 cm3; (15)Molar Volume: 119.8 cm3; (16)Polarizability: 15.96×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Enthalpy of Vaporization: 49.07 kJ/mol; (19)Vapour Pressure: 0.0184 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(N)c(Cl)c1Cl
(2)InChI: InChI=1/C6H4Cl2FN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2
(3)InChIKey: FBJNROHMXNXQBQ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H4Cl2FN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2
(5)Std. InChIKey: FBJNROHMXNXQBQ-UHFFFAOYSA-N