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CAS No.: | 54127-29-6 |
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Name: | 2,3-DICHLOROPYRIDINE-5-CARBONYL CHLORIDE |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C6H2Cl3NO |
Molecular Weight: | 210.4452 |
Synonyms: | 5,6-Dichloropyridine-3-carbonyl chloride; |
Density: | 1.582 g/cm3 |
Boiling Point: | 265.2 °C at 760 mmHg |
Flash Point: | 114.2 °C |
Hazard Symbols: | C |
PSA: | 29.96000 |
LogP: | 2.76740 |
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The CAS registry number of 3-Pyridinecarbonylchloride, 5,6-dichloro- is 54127-29-6. This chemical's molecular formula is C6H2Cl3NO and molecular weight is 210.4452. What's more, its systematic name is called 5,6-Dichloropyridine-3-carbonyl chloride.
Physical properties about 3-Pyridinecarbonylchloride, 5,6-dichloro- are: (1)ACD/LogP: 2.48; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 44.9; (6)ACD/BCF (pH 7.4): 44.9; (7)ACD/KOC (pH 5.5): 530.02; (8)ACD/KOC (pH 7.4): 530.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 44.37 cm3; (15)Molar Volume: 132.9 cm3; (16)Polarizability: 17.59×10-24 cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.582 g/cm3; (19)Flash Point: 114.2 °C; (20)Enthalpy of Vaporization: 50.31 kJ/mol; (21)Boiling Point: 265.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00928 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(C(Cl)=O)cnc1Cl
(2) InChI: InChI=1/C6H2Cl3NO/c7-4-1-3(6(9)11)2-10-5(4)8/h1-2H
(3) InChIKey: NZEAAWXZOUGYCH-UHFFFAOYAI