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CAS No.: | 77332-64-0 |
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Name: | 1-Bromo-5-iodonaphthalene |
Molecular Structure: | |
Formula: | C10H6BrI |
Molecular Weight: | 332.966 |
Synonyms: | NSC 113040; |
Density: | 2.058 g/cm3 |
Boiling Point: | 362.034 °C at 760 mmHg |
Flash Point: | 172.753 °C |
PSA: | 0.00000 |
LogP: | 4.20690 |
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The 1-Bromo-5-iodonaphthalene, with the CAS registry number 77332-64-0, is also known as Naphthalene, 1-bromo-5-iodo-. This chemical's molecular formula is C10H6BrI and molecular weight is 332.96. What's more, its systematic name is 1-Bromo-5-iodonaphthalene.
Physical properties of 1-Bromo-5-iodonaphthalene are: (1)ACD/LogP: 5.269; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 5946.70; (6)ACD/BCF (pH 7.4): 5946.70; (7)ACD/KOC (pH 5.5): 17507.27; (8)ACD/KOC (pH 7.4): 17507.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 64.692 cm3; (14)Molar Volume: 161.807 cm3; (15)Polarizability: 25.646×10-24cm3; (16)Surface Tension: 53.3 dyne/cm; (17)Density: 2.058 g/cm3; (18)Flash Point: 172.753 °C; (19)Enthalpy of Vaporization: 58.4 kJ/mol; (20)Boiling Point: 362.034 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cccc2c1cccc2Br
(2)Std. InChI: InChI=1S/C10H6BrI/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6H
(3)Std. InChIKey: XUPYWKAKDZRRGW-UHFFFAOYSA-N