3,6,10,11-Tetrakis(pentyloxy)triphenylene-2,7-diol supplier

Name
2,7-Dihydroxy-3,6,10,11-tetrakis(pentyloxy)triphenylene
EINECS
CAS No. 102737-76-8
Article Data4
CAS DataBase
Density 1.102g/cm³
Solubility
Melting Point 105.0 °C
Formula C₃₈H₅₂O₆
Boiling Point 744.05 °C at 760 mmHg
Molecular Weight 604.82
Flash Point 403.787 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,7-Dihydroxy-3,6,10,11-tetrakis(pentyloxy)triphenylene;
PSA 77.38000
LogP 10.83340

3,6,10,11-Tetrakis(pentyloxy)triphenylene-2,7-diol Specification

The 3,6,10,11-Tetrakis(pentyloxy)triphenylene-2,7-diol with cas registry number of 102737-76-8, has the systematic name of 3,6,10,11-tetrakis(pentyloxy)triphenylene-2,7-diol. And it is also named 3,6,10,11-Tetrakis(pentyloxy)triphenylene-2,7-diol.

Physical properties about this chemical are: (1)ACD/LogP: 11.71; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12; (4)ACD/LogD (pH 7.4): 12; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 77.38 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 184.384 cm³; (15)Molar Volume: 548.758 cm³; (16)Polarizability: 73.095×10^-24cm³; (17)Surface Tension: 43.838 dyne/cm; (18)Enthalpy of Vaporization: 112.324 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc3cc2c4cc(OCCCCC)c(OCCCCC)cc4c1cc(O)c(OCCCCC)cc1c2cc3OCCCCC;
(2)InChI: InChI=1/C38H52O6/c1-5-9-13-17-41-35-23-29-27(21-33(35)39)31-25-37(43-19-15-11-7-3)38(44-20-16-12-8-4)26-32(31)28-22-34(40)36(24-30(28)29)42-18-14-10-6-2/h21-26,39-40H,5-20H2,1-4H3;
(3)InChIKey: RRXLJTWVCLAAJD-UHFFFAOYAF;
(4)Std. InChI: InChI=1S/C38H52O6/c1-5-9-13-17-41-35-23-29-27(21-33(35)39)31-25-37(43-19-15-11-7-3)38(44-20-16-12-8-4)26-32(31)28-22-34(40)36(24-30(28)29)42-18-14-10-6-2/h21-26,39-40H,5-20H2,1-4H3;
(5)Std. InChIKey: RRXLJTWVCLAAJD-UHFFFAOYSA-N

Product Name

2,7-Dihydroxy-3,6,10,11-tetrakis(pentyloxy)triphenylene

3,6,10,11-Tetrakis(pentyloxy)triphenylene-2,7-diol Specification

Related Products

Hot Products