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Structure

3,3,3-Tris(4-chlorophenyl)propanenitrile

CAS
2172-51-2
Catalog Number
ACM2172512
Category
Other Products
Molecular Weight
386.702 g/mol
Molecular Formula
C21H14Cl3N

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Specification

Synonyms
EINECS 218-526-6, MolPort-004-285-329, CID75115, ZINC04529218, 2,2,3-Tris(4-chlorophenyl)propiononitrile, LT00159883, 2172-51-2
IUPAC Name
3,3,3-tris(4-chlorophenyl)propanenitrile
Canonical SMILES
C1=CC(=CC=C1C(CC#N)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl
InChI Key
SGXWKWVVMYKJNN-UHFFFAOYSA-N
Boiling Point
532.1ºC at 760mmHg
Melting Point
175-177ºC(lit.)
Flash Point
213.8ºC
Density
1.31g/cm³
EC Number
218-526-6
Exact Mass
385.01900
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
36
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