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2,4',5-Trichlorobiphenyl

CAT: 0926-RAA60602-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RAA60602-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16606-02-3
MDL Number
MFCD00078742
Smiles
C1=CC (=CC=C1C2=C (C=CC (=C2) Cl) Cl) Cl
Molecular Formula
C12H7Cl3
Molecular Weight
257.54 g/mol
Controlled
Yes

Chemical Information

Pcb 31

2,4',5-Trichlorobiphenyl is one of 209 polychlorinated biphenyls (PCBs). PCBs are a group of synthetic organic compounds with 1-10 chlorine atoms attached to biphenyl. They were manufactured as commercial mixtures but banned in the 1970's because they were found to bioaccumulate and cause harmful health effects. However, PCBs do not break down readily and are still found in the environment. (L4)

CAS Number16606-02-3
PubChem CID27960
IUPAC Name1,4-dichloro-2-(4-chlorophenyl)benzene
Molecular FormulaC12H7Cl3
Molecular Weight257.5
XLogP5.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity199
SMILES
C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
InChIKey
VAHKBZSAUKPEOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pcb 31
CAS: 16606-02-3
CID: 27960
Formula: C12H7Cl3
MW: 257.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.5
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass255.961333
Monoisotopic Mass255.961333
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity199
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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