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M, p'-DDD

CAT: 0013-GTR19223254-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223254-01Size:100 mg
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Description
M, p'-DDD is a bioactive metabolite of the pesticide DDD, used as a reference standard in environmental and toxicological research. It is applied in studies investigating pesticide metabolism, endocrine disruption, and bioaccumulation in both in vitro assays and in vivo models.
CAS Number
4329-12-8
Smiles
ClC1=CC=C (C=C1) C (C=2C=CC=C (Cl) C2) C (Cl) Cl
Molecular Formula
C14H10Cl4
Molecular Weight
320.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Chloro-3-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene

2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane is a diarylmethane.

CAS Number4329-12-8
PubChem CID96516
IUPAC Name1-chloro-3-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
Molecular FormulaC14H10Cl4
Molecular Weight320.0
XLogP6.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity248
SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC=C(C=C2)Cl)C(Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-11-6-4-9(5-7-11)13(14(17)18)10-2-1-3-12(16)8-10/h1-8,13-14H
InChIKey
SMFZKOLFXRQOIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-3-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene
CAS: 4329-12-8
CID: 96516
Formula: C14H10Cl4
MW: 320.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.0
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass319.950711
Monoisotopic Mass317.953661
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-B1984-01P, p'-DDD
MBS5772766p,p'-DDD
HY-B1984R-01P, p'-DDD (Standard)
HY-B1984S-01P, p'-DDD-d8
HY-W750297P, p'-DDD-13C12
T33132-01M, p'-DDD
MBS5782694m,p'-DDD
581341DDD (analytical)
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