-
Name
S-3,3'-diiodo-2,2'-bis(MethoxyMethoxy)1,1'-Binaphthalene
- EINECS
- CAS No. 219583-87-6
- Article Data37
- CAS DataBase
- Density 1.735 g/cm3
- Solubility
- Melting Point
- Formula C24H20I2O4
- Boiling Point 590.255 °C at 760 mmHg
- Molecular Weight 626.22
- Flash Point 310.775 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms S-3,3'-Diiodo-2,2'-bis(methoxymethoxy)1,1'-binaphthalene;
- PSA 36.92000
- LogP 6.83460
(S)-2,2'-Bis(methoxymethoxy)-3,3'-diiodo-1,1'-binaphthyl Specification
The (S)-2,2'-Bis(methoxymethoxy)-3,3'-diiodo-1,1'-binaphthyl, with the CAS registry number 219583-87-6, is also known as 1,1'-Binaphthalene, 3,3'-diiodo-2,2'-bis(methoxymethoxy)-, (1S)-. This chemical's molecular formula is C24H20I2O4 and molecular weight is 626.22. What's more, its systematic name is S-3,3'-Diiodo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene.
Physical properties of (S)-2,2'-Bis(methoxymethoxy)-3,3'-diiodo-1,1'-binaphthyl are: (1)ACD/LogP: 6.617; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.62; (4)ACD/LogD (pH 7.4): 6.62; (5)ACD/BCF (pH 5.5): 62885.24; (6)ACD/BCF (pH 7.4): 62885.24; (7)ACD/KOC (pH 5.5): 94707.04; (8)ACD/KOC (pH 7.4): 94707.04; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 138.457 cm3; (15)Molar Volume: 360.838 cm3; (16)Polarizability: 54.889×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.735 g/cm3; (19)Flash Point: 310.775 °C; (20)Enthalpy of Vaporization: 84.817 kJ/mol; (21)Boiling Point: 590.255 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2cc1c(cccc1)c(c2OCOC)c4c3ccccc3cc(I)c4OCOC
(2)Std. InChI: InChI=1S/C24H20I2O4/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2/h3-12H,13-14H2,1-2H3
(3)Std. InChIKey: HVIYMUMYPJXEAR-UHFFFAOYSA-N
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