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CAS No.: | 2123-27-5 |
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Name: | 2,4-dichlorostyrene |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C8H6Cl2 |
Molecular Weight: | 173.042 |
Synonyms: | Styrene,2,4-dichloro- (6CI,7CI,8CI);2,4-dichloro-1-ethenylbenzene; |
EINECS: | 218-337-9 |
Density: | 1.242 g/cm3 |
Melting Point: | 48.5°C (estimate) |
Boiling Point: | 232.3 °C at 760 mmHg |
Flash Point: | 96.5 °C |
PSA: | 0.00000 |
LogP: | 3.63640 |
The Benzene,2,4-dichloro-1-ethenyl-, with CAS registry number 2123-27-5, has the systematic name of 2,4-dichloro-1-ethenylbenzene. Besides this, it is also called 2,4-dichlorostyrene. And the chemical formula of this chemical is C8H6Cl2. What's more, its EINECS is 218-337-9.
Physical properties of Benzene,2,4-dichloro-1-ethenyl-: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 329.33; (6)ACD/BCF (pH 7.4): 329.33; (7)ACD/KOC (pH 5.5): 2206.59; (8)ACD/KOC (pH 7.4): 2206.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 46.96 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 18.61×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 96.5 °C; (20)Enthalpy of Vaporization: 44.99 kJ/mol; (21)Boiling Point: 232.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0905 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1\C=C
(2)InChI: InChI=1/C8H6Cl2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
(3)InChIKey: OMNYXCUDBQKCMU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H6Cl2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
(5)Std. InChIKey: OMNYXCUDBQKCMU-UHFFFAOYSA-N