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59785-43-2

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Basic Information
CAS No.: 59785-43-2
Name: Benzene,1,3-dibroMo-5-ethyl-
Molecular Structure:
Molecular Structure of 59785-43-2 (Benzene,1,3-dibroMo-5-ethyl-)
Formula: C8H8Br2
Molecular Weight: 263.96
Synonyms: 1,3-Dibromo-5-ethylbenzene;3,5-Dibromoethylbenzene;
Density: 1.707 g/cm3
Boiling Point: 264.4 °C at 760 mmHg
Flash Point: 127.1 °C
PSA: 0.00000
LogP: 3.77400
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Specification

The Benzene, 1,3-dibromo-5-ethyl-, with the CAS registry number 59785-43-2, is also known as 3,5-Dibromoethylbenzene. This chemical's molecular formula is C8H8Br2 and molecular weight is 263.96. What's more, its systematic name is 1,3-dibromo-5-ethylbenzene.

Physical properties of Benzene, 1,3-dibromo-5-ethyl- are: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.71; (4)ACD/LogD (pH 7.4): 4.71; (5)ACD/BCF (pH 5.5): 2223.01; (6)ACD/BCF (pH 7.4): 2223.01; (7)ACD/KOC (pH 5.5): 8656.41; (8)ACD/KOC (pH 7.4): 8656.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 51.18 cm3; (14)Molar Volume: 154.6 cm3; (15)Polarizability: 20.29×10-24cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.707 g/cm3; (18)Flash Point: 127.1 °C; (19)Enthalpy of Vaporization: 48.2 kJ/mol; (20)Boiling Point: 264.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(CC)cc(Br)c1
(2)InChI: InChI=1S/C8H8Br2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3
(3)InChIKey: IHFAYHLKBUGUOQ-UHFFFAOYSA-N