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| CAS No.: | 15600-01-8 |
|---|---|
| Name: | 1,1,2,2,3,3-HEXACHLOROPROPANE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C3H2Cl6 |
| Molecular Weight: | 250.767 |
| Synonyms: | 1,1,2,2,3,3-HEXACHLOROPROPANE;Hexachlropropane;1,1,2,2,3,3-HEXACHLOROPROPANE 7% |
| Density: | 1.704 g/cm3 |
| Boiling Point: | 230.1 °C at 760 mmHg |
| Flash Point: | 93.7 °C |
| PSA: | 0.00000 |
| LogP: | 3.76770 |
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Specification
The Propane,1,1,2,2,3,3-hexachloro- has CAS registry number 15600-01-8. This chemical's molecular formula is C3H2Cl6 and molecular weight is 250.77. What's more, its systematic name is 1,1,2,2,3,3-hexachloropropane.
Physical properties of Propane,1,1,2,2,3,3-hexachloro- are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1099.83; (6)ACD/BCF (pH 7.4): 1099.83; (7)ACD/KOC (pH 5.5): 5230.93; (8)ACD/KOC (pH 7.4): 5230.93; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 44.92 cm3; (15)Molar Volume: 147.1 cm3; (16)Polarizability: 17.8×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.704 g/cm3; (19)Flash Point: 93.7 °C; (20)Enthalpy of Vaporization: 44.78 kJ/mol; (21)Boiling Point: 230.1 °C at 760 mmHg; (22)Vapour Pressure: 0.101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)C(Cl)(Cl)C(Cl)Cl
(2)Std. InChI: InChI=1S/C3H2Cl6/c4-1(5)3(8,9)2(6)7/h1-2H
(3)Std. InChIKey: HVCSXHFGNRDDQR-UHFFFAOYSA-N