CAS No.4411-80-7,6,6'-Dimethyl-2,2'-dipyridyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4411-80-7
Name:	6,6'-Dimethyl-2,2'-dipyridyl
Article Data:	62

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
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	25.78000
LogP:	2.76040

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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.