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P, p'-DDD

CAT: 0013-GTR19201971-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201971-01Size:50 mg
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Description
TDE (DDD) is an organochlorine insecticide that may cause mild skin irritation. It is used in research as a reference standard and as a metabolite of DDT in environmental and toxicological studies, including investigations into endocrine disruption in vitro and in vivo.
CAS Number
72-54-8
Field of Research
Cell Biology, Metabolism Research
Smiles
ClC (Cl) C (c1ccc (Cl) cc1) c1ccc (Cl) cc1
Molecular Formula
C14H10Cl4
Molecular Weight
320.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

P,P'-ddd

DDD (Dichlorodiphenyldichloroethane) can cause cancer according to an independent committee of scientific and health experts.

CAS Number72-54-8
PubChem CID6294
IUPAC Name1-chloro-4-[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
Complexity218
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
InChIKey
AHJKRLASYNVKDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P,P'-ddd
CAS: 72-54-8
CID: 6294
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
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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