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Details

Stereochemistry ACHIRAL
Molecular Formula C12H27O4P.C6H3Cl3O
Molecular Weight 463.761
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-TRICHLOROPHENOL TRIISOBUTYLPHOSPHATE

SMILES

OC1=CC(Cl)=C(Cl)C=C1Cl.CC(C)COP(=O)(OCC(C)C)OCC(C)C

InChI

InChIKey=PSRRFIDFYMNSMH-UHFFFAOYSA-N
InChI=1S/C12H27O4P.C6H3Cl3O/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6;7-3-1-5(9)6(10)2-4(3)8/h10-12H,7-9H2,1-6H3;1-2,10H

HIDE SMILES / InChI

Molecular Formula C6H3Cl3O
Molecular Weight 197.446
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H27O4P
Molecular Weight 266.3141
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:16:41 GMT 2023
Edited
by admin
on Sat Dec 16 08:16:41 GMT 2023
Record UNII
MPH4XWQ2FW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,5-TRICHLOROPHENOL TRIISOBUTYLPHOSPHATE
Systematic Name English
PHOSPHORIC ACID, TRIS(2-METHYLPROPYL) ESTER, COMPD. WITH 2,4,5-TRICHLOROPHENOL (1:1)
Systematic Name English
TRICHLOREX
Brand Name English
PHENOL, 2,4,5-TRICHLORO-, COMPD. WITH TRIS(2-METHYLPROPYL) PHOSPHATE (1:1)
Systematic Name English
ISOBUTYL PHOSPHATE, (C4H9O)3PO, COMPD. WITH 2,4,5-TRICHLOROPHENOL
Common Name English
2,4,5-TRICHLOROPHENOL-TRIISOBUTYL PHOSPHATE COMPLEX
Common Name English
Code System Code Type Description
CAS
3570-29-4
Created by admin on Sat Dec 16 08:16:41 GMT 2023 , Edited by admin on Sat Dec 16 08:16:41 GMT 2023
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FDA UNII
MPH4XWQ2FW
Created by admin on Sat Dec 16 08:16:41 GMT 2023 , Edited by admin on Sat Dec 16 08:16:41 GMT 2023
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PUBCHEM
86278120
Created by admin on Sat Dec 16 08:16:41 GMT 2023 , Edited by admin on Sat Dec 16 08:16:41 GMT 2023
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