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| CAS No.: | 10366-05-9 |
|---|---|
| Name: | Dichloro[2,2]paracyclophane |
| Molecular Structure: | |
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|
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| Formula: | C16H14Cl2 |
| Molecular Weight: | 277.193 |
| Synonyms: | 5,11-Dichlorotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene;6,12-Dichlorobis(p-xylylene);Galxyl C; |
| EINECS: | 233-807-3 |
| Density: | 1.23 g/cm3 |
| Melting Point: | 165-167°C |
| Boiling Point: | 389.967 °C at 760 mmHg |
| Flash Point: | 181.488 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 0.00000 |
| LogP: | 4.87720 |
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Specification
The systematic name of Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene,5,11-dichloro- is 5,11-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene. With the CAS registry number 10366-05-9, it is also named as 6,12-Dichlorobis(p-xylylene). In addition, its molecular formula is C16H14Cl2 and molecular weight is 277.19.
The other characteristics of Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene,5,11-dichloro- can be summarized as: (1)EINECS: 233-807-3; (2)ACD/LogP: 7.10; (3)# of Rule of 5 Violations: 1; (4)#H bond acceptors: 0; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 0 Å2; (8)Index of Refraction: 1.602; (9)Molar Refractivity: 77.42 cm3; (10)Molar Volume: 225.4 cm3; (11)Polarizability: 30.69×10-24cm3; (12)Surface Tension: 43.3 dyne/cm; (13)Density: 1.229 g/cm3; (14)Flash Point: 181.5 °C; (15)Melting point: 165-167 °C; (16)Enthalpy of Vaporization: 61.44 kJ/mol; (17)Boiling Point: 390 °C at 760 mmHg; (18)Vapour Pressure: 6.16E-06 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1c3ccc(c1)CCc2c(Cl)cc(cc2)CC3
(2)InChI: InChI=1/C16H14Cl2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
(3)InChIKey: NKTYDTSCVMKWHY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H14Cl2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
(5)Std. InChIKey: NKTYDTSCVMKWHY-UHFFFAOYSA-N