CAS No.1506-76-9,HEXAPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1506-76-9
Name:	HEXAPHENOL
Article Data:	11

Formula:	C₂₁H₁₈O₆
Molecular Weight:	366.37
Synonyms:	Cyclotricatechylene;
Density:	1.528 g/cm³
Melting Point:	287-289 °C
Boiling Point:	717.101 °C at 760 mmHg
Flash Point:	337.191 °C
Appearance:	grey fluffy powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	121.38000
LogP:	3.00600

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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

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