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CAS No.: | 36506-46-4 |
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Name: | 1,2-BIS(4-BROMOPHENOXY)ETHANE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C14H12Br2O2 |
Molecular Weight: | 372.056 |
Synonyms: | 1,2-Bis(4-bromophenoxy)ethane;Ethylene glycol bis(p-bromophenyl) ether; |
Density: | 1.612 g/cm3 |
Melting Point: | 134-135 °C |
Boiling Point: | 438.7 °C at 760 mmHg |
Flash Point: | 182.1 °C |
PSA: | 18.46000 |
LogP: | 4.66940 |
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The Benzene,1,1'-[1,2-ethanediylbis(oxy)]bis[4-bromo- is an organic compound with the formula C14H12Br2O2. The systematic name of this chemical is 1,1'-[ethane-1,2-diylbis(oxy)]bis(4-bromobenzene). With the CAS registry number 36506-46-4, it is also named as Bisbromophenoxyethane.
Physical properties about Benzene,1,1'-[1,2-ethanediylbis(oxy)]bis[4-bromo- are: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.87; (5)ACD/BCF (pH 5.5): 17126.85; (6)ACD/BCF (pH 7.4): 17126.85; (7)ACD/KOC (pH 5.5): 37329.61; (8)ACD/KOC (pH 7.4): 37329.61; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 79.19 cm3; (14)Molar Volume: 230.7 cm3; (15)Polarizability: 31.39×10-24cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.612 g/cm3; (18)Flash Point: 182.1 °C; (19)Enthalpy of Vaporization: 66.87 kJ/mol; (20)Boiling Point: 438.7 °C at 760 mmHg; (21)Vapour Pressure: 1.74E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(OCCOc1ccc(Br)cc1)cc2
(2)InChI: InChI=1/C14H12Br2O2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2
(3)InChIKey: FANDKBOZYRTMBW-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H12Br2O2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2
(5)Std. InChIKey: FANDKBOZYRTMBW-UHFFFAOYSA-N