The CAS registry number of 5H-Dibenzo[a,d]cyclohepten-5-ol,10,11-dihydro- is 1210-34-0. The IUPAC name is 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol. Its EINECS registry number is 214-911-8. In addition, the formula is C15H14O and the molecular weight is 210.27. What's more, it is a kind of white fluffy powder.
Physical properties about this chemical are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 218.11; (6)ACD/BCF (pH 7.4): 218.11; (7)ACD/KOC (pH 5.5): 1642.96; (8)ACD/KOC (pH 7.4): 1642.96; (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: 1.633; (14)Molar Refractivity: 64.6 cm3; (15)Molar Volume: 180.7 cm3; (16)Polarizability: 25.61 ×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.163 g/cm3; (19)Flash Point: 135.6 °C; (20)Enthalpy of Vaporization: 64.55 kJ/mol; (21)Boiling Point: 365.5 °C at 760 mmHg; (22)Vapour Pressure: 5.51E-06 mmHg at 25°C.
Uses of 5H-Dibenzo[a,d]cyclohepten-5-ol,10,11-dihydro-: it can be used to get 5-chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene. This reaction will need reagents CaCl2 and HCl and solvent benzene. The reaction time is 2.5 hours and the yield is about 93%.
When you are using this chemical, please be cautious about it as the following:
You should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: OC3c1ccccc1CCc2c3cccc2
(2)InChI: InChI=1/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
(3)InChIKey: POAVRNPUPPJLKZ-UHFFFAOYAL
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02172 |
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