CAS No.100868-46-0,3,5-Dichloro-4-Picoline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100868-46-0
Name:	3,5-Dichloro-4-Picoline
Article Data:	1

Formula:	C₆H₅Cl₂N
Molecular Weight:	162.018
Synonyms:	4-Picoline,3,5-dichloro- (6CI);3,5-Dichloro-4-methylpyridine;3,5-Dichloro-4-picoline;
EINECS:	-0
Density:	1.319g/cm³
Melting Point:	49 °C
Boiling Point:	203.615 °C at 760 mmHg
Flash Point:	95.8 °C
PSA:	12.89000
LogP:	2.69680

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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