CAS 638-41-5

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2 Intermediates

2 Intermediates

Chemistry

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Also known as: 638-41-5, Amyl chloroformate, Chloroformic acid amyl ester, Pentyl carbonochloridate, Carbonochloridic acid, pentyl ester, N-pentyl chloroformate

Molecular Formula

C₆H₁₁ClO₂

Molecular Weight

150.60 g/mol

InChI Key

XHRRYUDVWPPWIP-UHFFFAOYSA-N

1 2D Structure

CAS 638-41-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pentyl carbonochloridate

2.1.2 InChI

InChI=1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3

2.1.3 InChI Key

XHRRYUDVWPPWIP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCOC(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 638-41-5

2. Amyl Chloroformate

3. Chloroformic Acid Amyl Ester

4. Pentyl Carbonochloridate

5. Carbonochloridic Acid, Pentyl Ester

6. N-pentyl Chloroformate

7. Chloroformic Acid N-amyl Ester

8. Formic Acid, Chloro-, Pentyl Ester

9. Chloroformic Acid Pentyl Ester

10. Carbonochloridic Acid Pentyl Ester

11. N-pentylchloroformate

12. Amyl=chloroformate

13. Nsc 7913

14. Einecs 211-336-4

15. N-pcf

16. Pentyl Carbonochloridoate

17. Pentyl Chloridocarbonate #

18. N-pentyl Chloroformate (n-amyl Chloroformate)

19. Unii-uf9vz2uv69

20. Uf9vz2uv69

21. Schembl97024

22. Chloroformic Acid N-pentyl Ester

23. Dtxsid0060933

24. Nsc7913

25. Nsc-7913

26. Zinc1586311

27. Pentyl Chloridocarbonate, Aldrichcpr

28. Mfcd00058933

29. Akos006230581

30. As-10930

31. Db-049800

32. C0587

33. Ft-0654430

34. D89273

35. Sr-01000944789

36. Sr-01000944789-1

37. Q65224146

38. 4-(1h-benzoimidazol-2-yl)-piperazine-1-carboxylicacidtert-butylester

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁ClO₂
Molecular Weight	150.60 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	150.0447573 g/mol
Monoisotopic Mass	150.0447573 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.1
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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