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| CAS No.: | 3512-75-2 |
|---|---|
| Name: | 4-Chloro-2,6-dimethylpyridine |
| Molecular Structure: | |
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| Formula: | C7H8ClN |
| Molecular Weight: | 141.6 |
| Synonyms: | 2,6-Lutidine,4-chloro- (6CI,7CI,8CI);2,6-Dimethyl-4-chloropyridine; |
| Density: | 1.114 g/cm3 |
| Boiling Point: | 179.823 °C at 760 mmHg |
| Flash Point: | 78.047 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 12.89000 |
| LogP: | 2.35180 |
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Specification
This chemical is called 4-Chloro-2,6-dimethylpyridine, and it can also be named as Pyridine, 4-chloro-2,6-dimethyl-. With the molecular formula of C7H8ClN, its molecular weight is 141.60. The CAS registry number of this chemical is 3512-75-2.
Other characteristics of the 4-Chloro-2,6-dimethylpyridine can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.055; (4)ACD/LogD (pH 7.4): 2.236; (5)ACD/BCF (pH 5.5): 19.379; (6)ACD/BCF (pH 7.4): 29.407; (7)ACD/KOC (pH 5.5): 257.507; (8)ACD/KOC (pH 7.4): 390.766; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 38.889 cm3; (15)Molar Volume: 127.158 cm3; (16)Polarizability: 15.417×10-24cm3; (17)Surface Tension: 36.515 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 78.047 °C; (20)Enthalpy of Vaporization: 39.903 kJ/mol; (21)Boiling Point: 179.823 °C at 760 mmHg; (22)Vapour Pressure: 1.251 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc(cc(n1)C)Cl
2.InChI: InChI=1/C7H8ClN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
3.InChIKey: SXCXPXVEOPFPOH-UHFFFAOYAS
4.Std. InChI: InChI=1S/C7H8ClN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
5.Std. InChIKey: SXCXPXVEOPFPOH-UHFFFAOYSA-N