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

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Name

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

EINECS N/A
CAS No. 1762-34-1 Density 1.061 g/cm3
PSA 25.78000 LogP 2.76040
Solubility N/A Melting Point 114-117 °C(lit.)
Formula C12H12N2 Boiling Point 315.671 °C at 760 mmHg
Molecular Weight 184.241 Flash Point 119.269 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1762-34-1 (5,5'-DIMETHYL-2,2'-DIPYRIDYL) Hazard Symbols IrritantXi
Synonyms

6,6'-Bi-3-picoline(6CI,7CI,8CI);5,5'-Dimethyl-2,2'-bipyridyl;5,5'-Dimethyl-2,2'-dipyridyl;5,5'-dimethyl-2,2'-bipyridine;

Article Data 3

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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