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| CAS No.: | 10354-00-4 |
|---|---|
| Name: | DIBENZOSUBERENOL |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C15H12O |
| Molecular Weight: | 208.26 |
| Synonyms: | 5-Dibenzosuberenol;5-Hydroxy-5H-dibenzo[a,d]cycloheptene;Dibenzosuberenol;NSC 84190;5H-Dibenzo[a,d][7]annulen-5-ol;5H-Dibenzo(a,d)cyclohepten-5-ol;5H-Dibenzo[a,d][7]annulen-5-ol;Dibenzo(b,f)cyclohepten-1-ol; |
| EINECS: | 233-774-5 |
| Density: | 1.196 g/cm3 |
| Melting Point: | 122.5-124 °C(lit.) |
| Boiling Point: | 401.9 °C at 760 mmHg |
| Flash Point: | 147.6 °C |
| Safety: | 22-24/25 |
| PSA: | 20.23000 |
| LogP: | 3.25210 |
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Specification
The CAS registry number of 5H-Dibenzo[a,d]cyclohepten-5-ol is 10354-00-4. The IUPAC name is 5H-dibenzo[a,d][7]annulen-5-ol. Its EINECS registry number is 233-774-5. In addition, the formula is C15H12O and the molecular weight is 208.26.
Physical properties about this chemical are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.86; (6)ACD/BCF (pH 7.4): 249.86; (7)ACD/KOC (pH 5.5): 1810.82; (8)ACD/KOC (pH 7.4): 1810.82; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 64.21 cm3; (15)Molar Volume: 174 cm3; (16)Polarizability: 25.45 ×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 147.6 °C; (20)Enthalpy of Vaporization: 68.85 kJ/mol; (21)Boiling Point: 401.9 °C at 760 mmHg; (22)Vapour Pressure: 3.52E-07 mmHg at 25°C.
Preparation of 5H-Dibenzo[a,d]cyclohepten-5-ol: it can be prepared by dibenzo[a,d]cyclohepten-5-one. The reaction needs reagent NaBH4 and solvent methanol. The reaction time is 2 hours and the yield is about 70%.
![5H-Dibenzo[a,d]cyclohepten-5-ol can be prepared by dibenzo[a,d]cyclohepten-5-one](/UserFilesUpload/Preparation of 5H-Dibenzo[a,d]cyclohepten-5-ol.png)
Uses of 5H-Dibenzo[a,d]cyclohepten-5-ol: it can be used to get 5-chloro-5H-dibenzo[a,d]cycloheptene. The reaction is a kind of chlorination and needs reagent SOCl2. The reaction time is 3 hours by heating. And the yield is about 70%.
![5H-Dibenzo[a,d]cyclohepten-5-ol can be used to get 5-chloro-5H-dibenzo[a,d]cycloheptene.](/UserFilesUpload/Uses of 5H-Dibenzo[a,d]cyclohepten-5-ol.png)
When you are using this chemical, please be cautious about it as the following:
You should avoid contact with skin and eyes and should not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: OC3c1ccccc1\C=C/c2c3cccc2
(2)InChI: InChI=1/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15-16H
(3)InChIKey: SRIISEYIFDTFRZ-UHFFFAOYAE