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5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro-

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Name

5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro-

EINECS N/A
CAS No. 1506-76-9 Density 1.528 g/cm3
PSA 121.38000 LogP 3.00600
Solubility N/A Melting Point 287-289 °C
Formula C21H18O6 Boiling Point 717.101 °C at 760 mmHg
Molecular Weight 366.37 Flash Point 337.191 °C
Transport Information N/A Appearance grey fluffy powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1506-76-9 (HEXAPHENOL) Hazard Symbols IrritantXi
Synonyms

Cyclotricatechylene;

Article Data 11

5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro- Specification

The 5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro-, with the CAS registry number 1506-76-9, is also known as 5,10,15-trihydrotribenzo[a,d,g][9]annulene-2,3,7,8,12,13-hexaol. This chemical's molecular formula is C21H18O6 and molecular weight is 366.36. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro- are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.731; (4)ACD/LogD (pH 7.4): 1.723; (5)ACD/BCF (pH 5.5): 12.184; (6)ACD/BCF (pH 7.4): 11.954; (7)ACD/KOC (pH 5.5): 208.348; (8)ACD/KOC (pH 7.4): 204.416; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 121.38 Å2; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 98.901 cm3; (15)Molar Volume: 239.673 cm3; (16)Polarizability: 39.207×10-24cm3; (17)Surface Tension: 86.196 dyne/cm; (18)Density: 1.529 g/cm3; (19)Flash Point: 337.191 °C; (20)Enthalpy of Vaporization: 108.526 kJ/mol; (21)Boiling Point: 717.101 °C at 760 mmHg.

Uses of 5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro-: it can be used to produce 2,3,7,8,12,13-hexatosyloxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene. It will need reagent Et3N and solvent tetrahydrofuran with the reaction time of 12 hours. The yield is about 80%.

5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro- can be used to produce 2,3,7,8,12,13-hexatosyloxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene 

5H-Tribenzo[a,d,g]cyclononene-2,3,7,8,12,13-hexol,10,15-dihydro- can be used to produce 2,3,7,8,12,13-hexatosyloxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene

 

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2=CC(=C(C=C2CC3=CC(=C(C=C3CC4=CC(=C(C=C41)O)O)O)O)O)O
(2)InChI: InChI=1S/C21H18O6/c22-16-4-10-1-11-5-17(23)19(25)7-13(11)3-15-9-21(27)20(26)8-14(15)2-12(10)6-18(16)24/h4-9,22-27H,1-3H2
(3)InChIKey: OOBDZXQTZWOBBQ-UHFFFAOYSA-N

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