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