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Quinoxaline, 2-(3,3,3-trichloro-1-propen-1-yl)-

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  • Name Quinoxaline, 2-(3,3,3-trichloro-1-propen-1-yl)-
  • EINECSN/A
  • CAS No. 6640-58-0
  • Density1.477 g/cm3
  • PSA25.78000
  • LogP4.01320
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H7Cl3N2
  • Boiling Point389.5 °C at 760 mmHg
  • Molecular Weight273.55
  • Flash Point221.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6640-58-0 (Quinoxaline, 2-(3,3,3-trichloro-1-propenyl)-)
  • Hazard SymbolsN/A
  • SynonymsN/A

Quinoxaline, 2-(3,3,3-trichloro-1-propen-1-yl)- Specification

The Quinoxaline, 2-(3,3,3-trichloro-1-propen-1-yl)-, with the CAS registry number 6640-58-0, is also known as 2-[(1E)-3,3,3-Trichloroprop-1-en-1-yl]quinoxaline. This chemical's molecular formula is C11H7Cl3N2 and molecular weight is 273.55. What's more, its systematic name is 2-[(E)-3,3,3-trichloroprop-1-enyl]quinoxaline.

Physical properties of Quinoxaline, 2-(3,3,3-trichloro-1-propen-1-yl)- are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 203.34; (6)ACD/BCF (pH 7.4): 203.34; (7)ACD/KOC (pH 5.5): 1562.57; (8)ACD/KOC (pH 7.4): 1562.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 70.68 cm3; (15)Molar Volume: 185.1 cm3; (16)Polarizability: 28.02×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.477 g/cm3; (19)Flash Point: 221.4 °C; (20)Enthalpy of Vaporization: 61.38 kJ/mol; (21)Boiling Point: 389.5 °C at 760 mmHg; (22)Vapour Pressure: 6.38E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=CC(=N2)C=CC(Cl)(Cl)Cl
(2)Isomeric SMILES: C1=CC=C2C(=C1)N=CC(=N2)/C=C/C(Cl)(Cl)Cl
(3)InChI: InChI=1S/C11H7Cl3N2/c12-11(13,14)6-5-8-7-15-9-3-1-2-4-10(9)16-8/h1-7H/b6-5+
(4)InChIKey: UPAOWTAFCNXMEO-AATRIKPKSA-N

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