Product Name

  • Name

    3,5-Dichloro-4-Picoline

  • EINECS -0
  • CAS No. 100868-46-0
  • Article Data1
  • CAS DataBase
  • Density 1.319g/cm3
  • Solubility
  • Melting Point 49 °C
  • Formula C6H5Cl2N
  • Boiling Point 203.615 °C at 760 mmHg
  • Molecular Weight 162.018
  • Flash Point 95.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 100868-46-0 (3,5-Dichloro-4-Picoline)
  • Hazard Symbols
  • Synonyms 4-Picoline,3,5-dichloro- (6CI);3,5-Dichloro-4-methylpyridine;3,5-Dichloro-4-picoline;
  • PSA 12.89000
  • LogP 2.69680

3,5-Dichloro-4-picoline Specification

The 3,5-Dichloro-4-picoline with the CAS number 100868-46-0 is also called Pyridine,3,5-dichloro-4-methyl-. The IUPAC name is 3,5-dichloro-4-methylpyridine. Its molecular formula is C6H5Cl2N. This chemical belongs to the following product categories: (1)Pharmacetical; (2)Pyridine. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3,5-Dichloro-4-picoline are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 57; (6)ACD/BCF (pH 7.4): 57; (7)ACD/KOC (pH 5.5): 626; (8)ACD/KOC (pH 7.4): 626; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 38.959 cm3; (15)Molar Volume: 122.834 cm3; (16)Polarizability: 15.445×10-24cm3; (17)Surface Tension: 40.99 dyne/cm; (18)Enthalpy of Vaporization: 42.187 kJ/mol; (19)Vapour Pressure: 0.392 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cncc1Cl)Cl
(2)InChI: InChI=1/C6H5Cl2N/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
(3)InChIKey: YBHYECGRNFZJPC-UHFFFAOYAJ

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