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2-Chloro-1-(6-Chloro-3-Pyridinyl)Ethanone
[CAS 136592-00-2]

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Achemica Switzerland
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Fluorochem Ltd. UK
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Identification
Name 2-Chloro-1-(6-Chloro-3-Pyridinyl)Ethanone
Synonyms 2-chloro-1-(6-chloropyridin-3-yl)ethanone; Ethanone,2-chloro-1-(6-chloro-3-pyridinyl)-
Molecular Structure CAS#: 136592-00-2, 2-Chloro-1-(6-Chloro-3-Pyridinyl)Ethanone
Molecular Formula C7H5Cl2NO
Molecular Weight 190.03
CAS Registry Number 136592-00-2
SMILES O=C(c1cnc(Cl)cc1)CCl
InChI 1S/C7H5Cl2NO/c8-3-6(11)5-1-2-7(9)10-4-5/h1-2,4H,3H2
InChIKey PALWQAXUGVUEIR-UHFFFAOYSA-N
Properties
Density 1.382g/cm3 (Cal.)
Boiling point 328.802°C at 760 mmHg (Cal.)
Flash point 152.654°C (Cal.)
Refractive index 1.555 (Cal.)
References
(1) Matthew Badland, Michael P. Burns, Robert J. Carroll, Roger M. Howard, Daniel Laity and Nathan J. Wymer. Application of biocatalysis towards asymmetric reduction and hydrolytic desymmetrisation in the synthesis of a β-3 receptor agonist, Green Chem., 2011, 13, 2888.
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