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5,5'-Dimethyl-2,2'-bipyridine

  • Name 5,5'-Dimethyl-2,2'-bipyridine
  • EINECSN/A
  • CAS No. 1762-34-1
  • Density1.061 g/cm3
  • PSA25.78000
  • LogP2.76040
  • SolubilityN/A
  • Melting Point114-117 °C(lit.)
  • FormulaC12H12N2
  • Boiling Point315.671 °C at 760 mmHg
  • Molecular Weight184.241
  • Flash Point119.269 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 1762-34-1 (5,5'-DIMETHYL-2,2'-DIPYRIDYL)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data3

5,5'-Dimethyl-2,2'-bipyridine Specification

The 2,2'-Bipyridine,5,5'-dimethyl-, with the CAS registry number 1762-34-1, has the systematic name of 5,5'-dimethyl-2,2'-bipyridine. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C12H12N2.

The characteristics of 2,2'-Bipyridine,5,5'-dimethyl- are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 23.48; (6)ACD/BCF (pH 7.4): 27.82; (7)ACD/KOC (pH 5.5): 317.32; (8)ACD/KOC (pH 7.4): 376.02; (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: 1.566; (14)Molar Refractivity: 56.67 cm3; (15)Molar Volume: 173.7 cm3; (16)Polarizability: 22.46×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 119.3 °C; (20)Enthalpy of Vaporization: 53.47 kJ/mol; (21)Boiling Point: 315.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000798 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(nc1)c2ccc(cn2)C
(2)InChI: InChI=1/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
(3)InChIKey: PTRATZCAGVBFIQ-UHFFFAOYAD

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.

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