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5-Bromo-1,10-phenanthroline

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Name

5-Bromo-1,10-phenanthroline

EINECS 254-742-7
CAS No. 40000-20-2 Density 1.616g/cm3
Solubility Melting Point
Formula C12H7BrN2 Boiling Point 417.6 °C at 760 mmHg
Molecular Weight 259.1014 Flash Point 206.3 °C
Transport Information Appearance white crystal
Safety Risk Codes
Molecular Structure Molecular Structure of 40000-20-2 (1,10-Phenanthroline,5-bromo-) Hazard Symbols
Synonyms

5-Bromo-1,10-phenanthroline;

 

5-Bromo-1,10-phenanthroline Specification

The 1,10-Phenanthroline,5-bromo-, with CAS registry number 40000-20-2, belongs to the following product category: Electronic Chemicals. It has the systematic name of 5-bromo-1,10-phenanthroline. And the chemical formula of this chemical is C12H7BrN2. What's more, its EINECS is 254-742-7.

Physical properties of 1,10-Phenanthroline,5-bromo-: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.757; (8)Molar Refractivity: 65.81 cm3; (9)Molar Volume: 160.2 cm3; (10)Polarizability: 26.08×10-24cm3; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 1.616 g/cm3; (13)Flash Point: 206.3 °C; (14)Enthalpy of Vaporization: 64.49 kJ/mol; (15)Boiling Point: 417.6 °C at 760 mmHg; (16)Vapour Pressure: 8.5E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1cccnc1c3ncccc23
(2)InChI: InChI=1/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
(3)InChIKey: GWKGPQCKIBRXGW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
(5)Std. InChIKey: GWKGPQCKIBRXGW-UHFFFAOYSA-N

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