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2,4,5-Trichlorophenoxyacetic Acid-d4

CAT: 0931-TMIJ-0433-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0433-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
358731-37-0
Bioactivity
2,4,5-Trichlorophenoxyacetic Acid-d4 is a deuterated compound of 2,4,5-Trichlorophenoxyacetic Acid. 2,4,5-Trichlorophenoxyacetic Acid has a CAS number of 93-76-5. 2,4,5-T is an herbicide with strong irritant properties.
Smiles
[2H]C1C(Cl)=C(Cl)C([2H])=C(Cl)C=1OC(C(O)=O)([2H])[2H]
Molecular Formula
C8D4H1Cl3O3
Molecular Weight
259.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,4,5-Trichlorophenoxyacetic acid-d4
CAS Number358731-37-0
PubChem CID90472221
IUPAC Name2,2-dideuterio-2-(2,4,5-trichloro-3,6-dideuteriophenoxy)acetic acid
Molecular FormulaC8H5Cl3O3
Molecular Weight259.5
XLogP3.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity212
SMILES
[2H]C1=C(C(=C(C(=C1Cl)Cl)[2H])Cl)OC([2H])([2H])C(=O)O
InChI
InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)/i1D,2D,3D2
InChIKey
SMYMJHWAQXWPDB-QZDQLYPWSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trichlorophenoxyacetic acid-d4
CAS: 358731-37-0
CID: 90472221
Formula: C8H5Cl3O3
MW: 259.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass257.955534
Monoisotopic Mass257.955534
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count4
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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Alternative Products

CatalogName
AR-C07167-012,4,5-Trichlorophenoxyacetic Acid-d4
TRC-T774155-10G2,4,5-Trichlorophenoxyacetic Acid
TRC-T774157-10MG2,4,5-Trichlorophenoxyacetic Acid-13C6
2898592,4,5-Trichlorophenoxyacetic acid discontinued
230933-012,4,5-Trichlorophenoxyacetic acid ≥96%
TRC-T774445-250MG2,4,5-Trichlorophenoxyacetic Acid Isobutyl Ester
42000008-12,4,5-Trichlorophenoxyacetic Acid Potassium Salt
AR-C07169-012,4,6-Trichlorophenoxyacetic Acid
AG169Trichlorophenoxyacetic Acid
T20135-012,4,6-Trichlorophenoxyacetic acid 95%

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