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4411-80-7

Basic Information
CAS No.: 4411-80-7
Name: 6,6'-Dimethyl-2,2'-dipyridyl
Article Data: 62
Cas Database
Molecular Structure:
Molecular Structure of 4411-80-7 (6,6'-Dimethyl-2,2'-dipyridyl)
Formula: C12H12N2
Molecular Weight: 184.241
Synonyms: 2,2'-Bipyridine,6,6'-dimethyl-;6,6'-Bi-2-picoline;
EINECS: 224-566-5
Density: 1.061 g/cm3
Melting Point: 93-95 °C(lit.)
Boiling Point: 278.6 °C at 760 mmHg
Flash Point: 104.9 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 25.78000
LogP: 2.76040
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    6,6'-Dimethyl-2,2'-dipyridyl

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  • 6,6'-Dimethyl-2,2'-dipyridyl

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  • 6,6'-Dimethyl-2,2'-bipyridin

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    4411-80-7

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  • CAS NO.:4411-80-7

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    4411-80-7

    6,6'-dimethyl-2,2'-bipyridine

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  • 6,6'-DiMethyl-2,2'-dipyridyl

  • Casno:

    4411-80-7

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  • 6,6'-Dimethyl-2,2'-dipyridyl

  • Casno:

    4411-80-7

    6,6'-Dimethyl-2,2'-dipyridyl

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Specification

The 6,6'-Dimethyl-2,2'-dipyridyl with the CAS number 4411-80-7 is also called 2,2'-Bipyridine,6,6'-dimethyl-. The IUPAC name is 2-methyl-6-(6-methylpyridin-2-yl)pyridine. Its EINECS registry number is 224-566-5. The molecular formula is C12H12N2. This chemical belongs to the following product categories: (1)C9 to C46; (2)Heterocyclic Building Blocks; (3)Pyridines.

The properties of the chemical are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 18.59; (6)ACD/BCF (pH 7.4): 27.71; (7)ACD/KOC (pH 5.5): 251.28; (8)ACD/KOC (pH 7.4): 374.54; (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)Enthalpy of Vaporization: 49.64 kJ/mol; (19)Vapour Pressure: 0.00715 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(n1)c2cccc(n2)C
(2)InChI: InChI=1/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3
(3)InChIKey: OHJPGUSXUGHOGE-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.