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| CAS No.: | 17455-25-3 |
|---|---|
| Name: | Dibenzo-30-crown-10 |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C28H40O10 |
| Molecular Weight: | 536.61 |
| Synonyms: | 5,5-Dibenzo-30-crown-10;Bis(o-phenylene)[3,4]crown-10;Dibenzo-30-C-10;Dibenzo-30-crown-10 ether;6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine;Dibenzo(b,q)(1,4,7,10,13,16,19,22,25,28)decaoxacyclotriacontin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydro-; |
| Density: | 1.068 g/cm3 |
| Melting Point: | 106-108 °C(lit.) |
| Boiling Point: | 671 °C at 760 mmHg |
| Flash Point: | 259 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 92.30000 |
| LogP: | 3.01520 |
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Specification
The Dibenzo-30-crown-10, with the CAS registry number 17455-25-3, is a kind of white crystalline powder. And it belongs to the following product categories: Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry. The molecular formula of the chemical is C28H40O10.
The characteristics of Dibenzo-30-crown-10 are as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.67; (6)ACD/BCF (pH 7.4): 5.67; (7)ACD/KOC (pH 5.5): 120.46; (8)ACD/KOC (pH 7.4): 120.46; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 92.3 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 139.02 cm3; (15)Molar Volume: 502.2 cm3; (16)Polarizability: 55.11×10-24cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 259 °C; (20)Enthalpy of Vaporization: 95.03 kJ/mol; (21)Boiling Point: 671 °C at 760 mmHg; (22)Vapour Pressure: 4.08E-17 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1c3c(OCCOCCOCCOCCOc2ccccc2OCCOCCOCCOCC1)cccc3
(2)InChI: InChI=1/C28H40O10/c1-2-6-26-25(5-1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-7-3-4-8-28(27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2
(3)InChIKey: MXCSCGGRLMRZMF-UHFFFAOYAP