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4-Chlorobenzylideneacetone
[CAS 3160-40-5]

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Identification
Name 4-Chlorobenzylideneacetone
Synonyms (E)-4-(4-Chlorophenyl)But-3-En-2-One; Zinc00159562; Cd 09801
Molecular Structure CAS#: 3160-40-5, 4-Chlorobenzylideneacetone
Molecular Formula C10H9ClO
Molecular Weight 180.63
CAS Registry Number 3160-40-5
EINECS 221-610-5
SMILES C1=C(Cl)C=CC(=C1)/C=C/C(C)=O
InChI 1S/C10H9ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+
InChIKey UUKRKWJGNHNTRG-NSCUHMNNSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 55-60°C (Expl.)
Boiling point 145-147°C (Expl.)
302.0±17.0°C at 760 mmHg (Cal.)
Flash point 148.7±12.1°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) Ying-Quan Yang, Xin-Kuan Chen, Hua Xiao, Wen Liu and Gang Zhao. Organocatalyzed enantioselective Michael additions of nitroalkanes to enones by using primary–secondary diamine catalysts, Chem. Commun., 2010, 46, 4130.
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