The 3-Pyridinecarbonylchloride, 2,5-dichloro- is an organic compound with the formula C6H2Cl3NO. The systematic name of this chemical is 2,5-dichloropyridine-3-carbonyl chloride. With the CAS registry number 78686-87-0, it is also named as 2,5-Dichloronicotinoyl chloride.
Physical properties about 3-Pyridinecarbonylchloride, 2,5-dichloro- are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 17.5; (5)ACD/BCF (pH 7.4): 17.5; (6)ACD/KOC (pH 5.5): 270.05; (7)ACD/KOC (pH 7.4): 270.05; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 44.37 cm3; (13)Molar Volume: 132.9 cm3; (14)Polarizability: 17.59×10-24cm3; (15)Surface Tension: 51.9 dyne/cm; (16)Density: 1.582 g/cm3; (17)Flash Point: 116.5 °C; (18)Enthalpy of Vaporization: 50.71 kJ/mol; (19)Boiling Point: 269 °C at 760 mmHg; (20)Vapour Pressure: 0.00745 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cc(Cl)cnc1Cl
(2)InChI: InChI=1/C6H2Cl3NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H
(3)InChIKey: VRJMAKCJTSZUQR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H2Cl3NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H
(5)Std. InChIKey: VRJMAKCJTSZUQR-UHFFFAOYSA-N
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