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CAS No.: | 22282-80-0 |
---|---|
Name: | 4-Chloro-2,5-dimethylpyridine |
Molecular Structure: | |
Formula: | C7H8ClN |
Molecular Weight: | 141.5981 |
Synonyms: | 4-Chlor-2,5-dimethylpyridin;4-chloro-2,5-dimethyl-pyridine; |
Density: | 1.114g/cm3 |
Boiling Point: | 190.181 °C at 760 mmHg |
Flash Point: | 85.832 °C |
PSA: | 12.89000 |
LogP: | 2.35180 |
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The 4-Chloro-2,5-dimethylpyridine, with CAS registry number 22282-80-0, has the systematic name of 4-chloro-2,5-dimethylpyridine. Its molecular weight is 141.5981. And the chemical formula of this chemical is C7H8ClN.
Physical properties of 4-Chloro-2,5-dimethylpyridine: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 270; (8)ACD/KOC (pH 7.4): 327; (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: 85.832 °C; (20)Enthalpy of Vaporization: 40.893 kJ/mol; (21)Boiling Point: 190.181 °C at 760 mmHg; (22)Vapour Pressure: 0.76 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(C)cc1Cl
(2)InChI: InChI=1/C7H8ClN/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3
(3)InChIKey: PKEAPXXPQSPHFU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H8ClN/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3
(5)Std. InChIKey: PKEAPXXPQSPHFU-UHFFFAOYSA-N