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2-Chloro-1-(1H-Pyrrol-2-Yl)-Ethanone
[CAS# 53391-62-1]

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Identification
Name 2-Chloro-1-(1H-Pyrrol-2-Yl)-Ethanone
Synonyms Ketone, Chloromethyl Pyrrol-2-Yl; Nsc81356; Zinc01574410
Molecular Structure CAS#: 53391-62-1, 2-Chloro-1-(1H-Pyrrol-2-Yl)-Ethanone
Molecular Formula C6H6ClNO
Molecular Weight 143.57
CAS Registry Number 53391-62-1
SMILES C1=C(C(CCl)=O)[NH]C=C1
InChI 1S/C6H6ClNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2
InChIKey QWNLFQDHVIUYBL-UHFFFAOYSA-N
Properties
Density 1.297g/cm3 (Cal.)
Boiling point 274.917°C at 760 mmHg (Cal.)
Flash point 120.066°C (Cal.)
References
(1) Alina T. Dubis, Małgorzata Domagała and Sławomir J. Grabowski. Spectroscopic and theoretical studies on some new pyrrol-2-yl-chloromethyl ketones, New J. Chem., 2010, 34, 556.
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