229625-50-7

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Also known as: 229625-50-7, Di-tert-butyl (chloromethyl) phosphate, Ditert-butyl chloromethyl phosphate, Phosphoric acid, chloromethyl bis(1,1-dimethylethyl) ester, Mfcd12165895, Phosphoric aci di-t-butyl exter chloromethyl ester

Molecular Formula

C₉H₂₀ClO₄P

Molecular Weight

258.68 g/mol

InChI Key

LNJAJHJFSKUCIR-UHFFFAOYSA-N

1 2D Structure

CAS 229625-50-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ditert-butyl chloromethyl phosphate

2.1.2 InChI

InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3

2.1.3 InChI Key

LNJAJHJFSKUCIR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OP(=O)(OCCl)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 229625-50-7

2. Di-tert-butyl (chloromethyl) Phosphate

3. Ditert-butyl Chloromethyl Phosphate

4. Phosphoric Acid, Chloromethyl Bis(1,1-dimethylethyl) Ester

5. Mfcd12165895

6. Phosphoric Aci Di-t-butyl Exter Chloromethyl Ester

7. Schembl194036

8. Di-t-butyl Chloromethylphosphate

9. Di-t-butyl Chloromethyl Phosphate

10. Di-tert-butylchloromethylphosphate

11. Dtxsid20470842

12. Bcp20758

13. Chloromethyl Di-tert-butyl Phosphate

14. Di Tert-butyl Chloromethyl Phosphate

15. Di-tert-butyl(chloromethyl)phosphate

16. Bbl102534

17. Stl556337

18. Zinc38276862

19. Akos015999857

20. Pb42148

21. As-70541

22. Sy012270

23. Db-050636

24. Cs-0049605

25. D5835

26. Ft-0766095

27. Chloromethyl Bis(1,1-dimethylethyl) Phosphate

28. Phosphoric Acid Di-tert-butylchloromethyl Ester

29. A856087

30. Phosphoric Aci Di-tert-butyl Exter Chloromethyl Ester

31. Phosphoric Acid Di-tert-butyl Ester Chloromethyl Ester

32. Di-tert-butyl Chloromethyl Phosphate (contains 2-5%k2co3 As Stabilizer)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₂₀ClO₄P
Molecular Weight	258.68 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	258.0787738 g/mol
Monoisotopic Mass	258.0787738 g/mol
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	222
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	1

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