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2D Structure
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

2D Structure

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 Weight 258.68 g/mol
Molecular Formula C9H20ClO4P
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass258.0787738 g/mol
Monoisotopic Mass258.0787738 g/mol
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1