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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Tricloryl, 7246-20-0, Triclos, Sodium triclofos, Sch 10159, Triclofos monosodium salt

Molecular Formula

C₂H₃Cl₃NaO₄P

Molecular Weight

251.36 g/mol

InChI Key

WFKJEZKHPGDCRK-UHFFFAOYSA-M

FDA UNII

9F90KA5Q8U

1 2D Structure

Triclofos Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2,2,2-trichloroethyl hydrogen phosphate

2.1.2 InChI

InChI=1S/C2H4Cl3O4P.Na/c3-2(4,5)1-9-10(6,7)8;/h1H2,(H2,6,7,8);/q;+1/p-1

2.1.3 InChI Key

WFKJEZKHPGDCRK-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C(C(Cl)(Cl)Cl)OP(=O)(O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

9F90KA5Q8U

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Tricloryl

2. 7246-20-0

3. Triclos

4. Sodium Triclofos

5. Sch 10159

6. Triclofos Monosodium Salt

7. 9f90ka5q8u

8. Sodium;2,2,2-trichloroethyl Hydrogen Phosphate

9. Sch-10159

10. 2,2,2-trichloroethanol Dihydrogen Phosphate Monosodium Salt

11. Ethanol, 2,2,2-trichloro-, Dihydrogen Phosphate Monosodium Salt

12. Sodium 2,2,2-trichloroethyl Hydrogen Phosphate

13. Unii-9f90ka5q8u

14. Triclofos Sodium [usan:jan]

15. Trichlofos Sodium

16. Trichlorethyl Phosphate Monosodium

17. Tricloryl (tn)

18. Einecs 230-652-3

19. Triclofos Sodium [jan]

20. Schembl8970300

21. Triclofos Sodium [usan]

22. 2,2,2-trichloroethanol Dihydrogen Phosphate Sodium Salt

23. Chembl1200789

24. Triclofos Sodium (jp17/usan)

25. Dtxsid60993262

26. Triclofos Sodium [mart.]

27. Triclofos Sodium [who-dd]

28. Ethanol, 2,2,2-trichloro-, Dihydrogen Phosphate, Monosodium Salt

29. Trichloroethyl Phosphate Sodium

30. Triclofos Monosodium Salt [mi]

31. Triclofos Sodium [orange Book]

32. D00388

33. Q27272482

34. Ethanol, 2,2,2-trichloro-, Dihydrogen Phosphate, Sodium Salt

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₂H₃Cl₃NaO₄P
Molecular Weight	251.36 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	249.873223 g/mol
Monoisotopic Mass	249.873223 g/mol
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2