Product Name

  • Name

    2-(1-Benzyl-1H-pyrrol-2-yl)-4,6-dichloro-1,3,5-triazine

  • EINECS
  • CAS No. 35252-49-4
  • Article Data1
  • CAS DataBase
  • Density 1.41 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H10Cl2N4
  • Boiling Point 522.5 °C at 760 mmHg
  • Molecular Weight 305.166
  • Flash Point 269.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 35252-49-4 (2-(1-Benzyl-1H-pyrrol-2-yl)-4,6-dichloro-1,3,5-triazine)
  • Hazard Symbols
  • Synonyms 2-(1-Benzyl-1H-pyrrol-2-yl)-4,6-dichloro-1,3,5-triazine;2-(1-Benzylpyrrol-2-yl)-4,6-dichloro-s-triazine;2,4-Dichloro-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-1,3,5-triazine;
  • PSA 43.60000
  • LogP 3.69520

2-(1-Benzyl-1H-pyrrol-2-yl)-4,6-dichloro-1,3,5-triazine Specification

The CAS register number of 2-(1-Benzyl-1H-pyrrol-2-yl)-4,6-dichloro-1,3,5-triazine is 35252-49-4. It also can be called as 2,4-Dichloro-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-1,3,5-triazine and the systematic name about this chemical is 1,3,5-triazine, 2,4-dichloro-6-[1-(phenylmethyl)-1H-pyrrol-2-yl]-. The molecular formula about this chemical is C14H10Cl2N4 and the molecular weight is 305.16.

Physical properties about 2-(1-Benzyl-1H-pyrrol-2-yl)-4,6-dichloro-1,3,5-triazine are: (1)ACD/LogP: 3.68; (2)ACD/LogD (pH 5.5): 3.68; (3)ACD/LogD (pH 7.4): 3.68; (4)ACD/BCF (pH 5.5): 370.45; (5)ACD/BCF (pH 7.4): 370.45; (6)ACD/KOC (pH 5.5): 2400.5; (7)ACD/KOC (pH 7.4): 2400.5; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.6Å2; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 81.73 cm3; (13)Molar Volume: 216 cm3; (14)Polarizability: 32.4x10-24cm3; (15)Surface Tension: 52.5 dyne/cm; (16)Enthalpy of Vaporization: 76.59 kJ/mol; (17)Boiling Point: 522.5 °C at 760 mmHg; (18)Vapour Pressure: 1.72E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)Cn2cccc2c3nc(nc(n3)Cl)Cl
(2)InChI: InChI=1/C14H10Cl2N4/c15-13-17-12(18-14(16)19-13)11-7-4-8-20(11)9-10-5-2-1-3-6-10/h1-8H,9H2
(3)InChIKey: MCHWEIQXYXLNES-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H10Cl2N4/c15-13-17-12(18-14(16)19-13)11-7-4-8-20(11)9-10-5-2-1-3-6-10/h1-8H,9H2
(5)Std. InChIKey: MCHWEIQXYXLNES-UHFFFAOYSA-N

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