CAS 4860-03-1

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CHEMISTRY

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Chemistry

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Also known as: Cetyl chloride, 4860-03-1, Hexadecyl chloride, Hexadecane, 1-chloro-, N-hexadecyl chloride, Palmityl chloride

Molecular Formula

C₁₆H₃₃Cl

Molecular Weight

260.9 g/mol

InChI Key

CLWAXFZCVYJLLM-UHFFFAOYSA-N

FDA UNII

WQ5ZKS3EK3

1 2D Structure

CAS 4860-03-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chlorohexadecane

2.1.2 InChI

InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

2.1.3 InChI Key

CLWAXFZCVYJLLM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCl

2.2 Other Identifiers

2.2.1 UNII

WQ5ZKS3EK3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Cetyl Chloride

2. 4860-03-1

3. Hexadecyl Chloride

4. Hexadecane, 1-chloro-

5. N-hexadecyl Chloride

6. Palmityl Chloride

7. 1-chloro-hexadecane

8. 1-hexadecyl Chloride

9. Wq5zks3ek3

10. Dtxsid3027580

11. Nsc-43727

12. Nsc-57106

13. Chloro Hexadecane

14. Unii-wq5zks3ek3

15. 1-chlorohexadecane, 95%

16. Nciopen2_002284

17. Schembl437217

18. Dtxcid107580

19. Chembl3184566

20. Nsc43727

21. Nsc57106

22. Einecs 225-461-7

23. Tox21_202749

24. Mfcd00000959

25. Nsc 57106

26. Zinc60117143

27. Akos009031446

28. Cs-w012500

29. Ncgc00260297-01

30. Cas-4860-03-1

31. Db-050393

32. Ft-0623575

33. 1-chlorohexadecane, Purum, >=97.0% (gc)

34. En300-19716

35. A827568

36. J-520013

37. Q27292774

2.3.2 Other Synonyms

1. 4860-03-1

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₃Cl
Molecular Weight	260.9 g/mol
XLogP3	9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	17
Formal Charge	0
Complexity	123
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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