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101861-59-0

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Basic Information
CAS No.: 101861-59-0
Name: 3,5-dibromo-quinoline
Article Data: 17
Molecular Structure:
Molecular Structure of 101861-59-0 (3,5-dibromo-quinoline)
Formula: C9H5Br2N
Molecular Weight: 286.95
Synonyms: 3,5-dibromo-quinoline
Density: 1.924 g/cm3
Melting Point: 86℃
Boiling Point: 333.054 °C at 760 mmHg
Flash Point: 155.226 °C
PSA: 12.89000
LogP: 3.75980
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Specification

The 3,5-Dibromoquinoline, its CAS registry number is 101861-59-0. This chemical's molecular formula is C9H5Br2N and molecular weight is 286.95. It is an organic compound. And it should be stored in a cool, ventilated and dry place.

Physical properties of 3,5-Dibromoquinoline are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.793; (4)ACD/LogD (pH 7.4): 2.793; (5)ACD/BCF (pH 5.5): 78.101; (6)ACD/BCF (pH 7.4): 78.108; (7)ACD/KOC (pH 5.5): 787.708; (8)ACD/KOC (pH 7.4): 787.774; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 57.567 cm3; (15)Molar Volume: 149.143 cm3; (16)Polarizability: 22.821×10-24 cm3; (17)Surface Tension: 55.049 dyne/cm; (18)Density: 1.924 g/cm3; (19)Flash Point: 155.226 °C; (20)Enthalpy of Vaporization: 55.304 kJ/mol; (21)Boiling Point: 333.054 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc(cn2)Br)c(c1)Br
(2)InChI: InChI=1/C9H5Br2N/c10-6-4-7-8(11)2-1-3-9(7)12-5-6/h1-5H
(3)InChIKey: IBADFXOMCWHDMS-UHFFFAOYAB