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| CAS No.: | 77-08-7 |
|---|---|
| Name: | 5,5',6,6'-TETRAHYDROXY-3,3,3',3'-TETRAMETHYL-1,1'-SPIROBISINDANE |
| Molecular Structure: | |
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| Formula: | C21H24O4 |
| Molecular Weight: | 340.419 |
| Synonyms: | 1,1'-Spirobi[indan]-5,5',6,6'-tetrol,3,3,3',3'-tetramethyl- (6CI,7CI,8CI);3,3,3',3'-Tetramethyl-1,1'-spirobi[indan]-5,5',6,6'-tetrol;3,3,3',3'-Tetramethyl-1,1'-spirobiindan-5,6,5',6'-tetrol;5,5',6,6'-Tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobihydrindene;5,5',6,6'-Tetrahydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindan; |
| EINECS: | 201-003-1 |
| Density: | 1.37 g/cm3 |
| Melting Point: | 300 °C |
| Boiling Point: | 561.2 °C at 760 mmHg |
| Flash Point: | 260.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-36 |
| PSA: | 80.92000 |
| LogP: | 4.15770 |
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Specification
The CAS registry number of 1,1'-Spirobi[1H-indene]-5,5',6,6'-tetrol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- is 77-08-7. The IUPAC name is 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol. Its EINECS registry number is 201-003-1. In addition, the molecular formula is C21H24O4 and the molecular weight is 340.41. It belongs to the classes of Alcohols; Monomers; Polymer Science.
Physical properties about this chemical are: (1)ACD/LogP: 4.63; (2)ACD/LogD (pH 5.5): 4.63; (3)ACD/LogD (pH 7.4): 4.62; (4)ACD/BCF (pH 5.5): 1939.38; (5)ACD/BCF (pH 7.4): 1921.92; (6)ACD/KOC (pH 5.5): 7850.39; (7)ACD/KOC (pH 7.4): 7779.73; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 36.92 Å2; (12)Index of Refraction: 1.694; (13)Molar Refractivity: 95.17 cm3; (14)Molar Volume: 247.8 cm3; (15)Polarizability: 37.73 ×10-24cm3; (16)Surface Tension: 73.3 dyne/cm; (17)Density: 1.37 g/cm3; (18)Flash Point: 260.8 °C; (19)Enthalpy of Vaporization: 87.55 kJ/mol; (20)Boiling Point: 561.2 °C at 760 mmHg; (21)Vapour Pressure: 3.35E-13 mmHg at 25°C.
Uses of 1,1'-Spirobi[1H-indene]-5,5',6,6'-tetrol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-: it can be used to get 4,7,4',7'-tetrabromo-3,3,3',3'-tetramethyl-2,3,2',3'-tetrahydro-[1,1']spirobiindene-5,6,5',6'-tetraol. This reaction is a kind of cromination reaction and will need reagent Br2 and solvent CHCl3. The reaction time is 4 days at reaction temperature of 20 °C. The yield is about 84%.
![1,1'-Spirobi[1H-indene]-5,5',6,6'-tetrol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- can be used to get 4,7,4',7'-tetrabromo-3,3,3',3'-tetramethyl-2,3,2',3'-tetrahydro-[1,1']spirobiindene-5,6,5',6'-tetraol](/UserFilesUpload/Uses of 1,1'-Spirobi[1H-indene]-5,5',6,6'-tetrol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-.jpg)
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc4c(cc1O)C3(c2cc(O)c(O)cc2C(C3)(C)C)CC4(C)C
(2)InChI: InChI=1/C21H24O4/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,22-25H,9-10H2,1-4H3
(3)InChIKey: POFMQEVZKZVAPQ-UHFFFAOYAE