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39557-71-6

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Basic Information
CAS No.: 39557-71-6
Name: 4-Vinylbenzo-18-crown-6
Article Data: 4
Molecular Structure:
Molecular Structure of 39557-71-6 (4-Vinylbenzo-18-crown-6)
Formula: C18H26O6
Molecular Weight: 338.401
Synonyms: 2,3-(4'-Vinylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene;4-Vinylbenzo-18-crown-6;4'-Vinylbenzo-18-crown-6;
Density: 1.053g/cm3
Melting Point: 56-60 °C
Boiling Point: 485.4 °C at 760 mmHg
Flash Point: 199 °C
Appearance: off-white crystalline powder
Hazard Symbols:
Risk Codes: 36/37/38
Safety: 26-36
PSA: 55.38000
LogP: 2.16720
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Specification

The 4-Vinylbenzo-18-crown-6 with its cas register number is 39557-71-6. It also can be called as 18-Ethenyl-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin and the IUPAC Name about this chemical is 20-ethenyl-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene. It belongs to the following product categories, such as Chelation/Complexation Compounds, Crown Ethers, Synthetic Reagents and so on.

Physical properties about 4-Vinylbenzo-18-crown-6 are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 3.92; (5)ACD/BCF (pH 7.4): 3.92; (6)ACD/KOC (pH 5.5): 92.48; (7)ACD/KOC (pH 7.4): 92.48; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.38Å2; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 91.26 cm3; (13)Molar Volume: 321.3 cm3; (14)Polarizability: 36.18x10-24cm3; (15)Surface Tension: 35.8 dyne/cm; (16)Enthalpy of Vaporization: 72.24 kJ/mol; (17)Vapour Pressure: 4.17E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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)Canonical SMILES: C=CC1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2
(2)InChI: InChI=1S/C18H26O6/c1-2-16-3-4-17-18(15-16)24-14-12-22-10-8-20-6-5-19-7-9-21-11-13-23-17/h2-4,15H,1,5-14H2
(3)InChIKey: WMBFARVSOWVDII-UHFFFAOYSA-N