CAS
21667-05-0 Purity
96%
21667-05-0 Purity
96%
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Benzenepropanenitrile,3-chloro-b-oxo-
CAS
21667-62-9
Catalog Number
ACM21667629
Category
Other Products
Molecular Weight
179.6
Molecular Formula
C9H6 Cl N O
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Specification
Synonyms
beta-ketonitrile 5b, 3-Chlorobenzoylacetonitrile, 3-Chlorophenacyl cyanide, Maybridge1_004670, 681857_ALDRICH, NSC31892, AIDS472889, AIDS-472889, CID140855, ZINC00095614, 3-Chloro-beta-oxobenzenepropanenitrile, 3-Oxo-3-(3-chlorophenyl)propionitrile, ST5406922, Benzenepropanenitrile, 3-chloro-.beta.-oxo-, 21667-62-9
IUPAC Name
3-(3-chlorophenyl)-3-oxopropanenitrile
Canonical SMILES
C1=CC(=CC(=C1)Cl)C(=O)CC#N
InChI Key
IUDFNNHFARLIPF-UHFFFAOYSA-N
Boiling Point
347.1ºC at 760mmHg
Melting Point
78ºC
Flash Point
163.7ºC
Density
1.257g/cm³
Exact Mass
179.01400
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
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