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CAS 112-67-4
Also known as: Hexadecanoyl chloride, 112-67-4, Palmitic acid chloride, Hexadecanoyl-chloride-, 7642r2josb, Nsc-9854
Molecular Formula
C16H31ClO
Molecular Weight
274.9  g/mol
InChI Key
ARBOVOVUTSQWSS-UHFFFAOYSA-N
FDA UNII
7642R2JOSB

1 2D Structure

CAS 112-67-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hexadecanoyl chloride
2.1.2 InChI
InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
2.1.3 InChI Key
ARBOVOVUTSQWSS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
7642R2JOSB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Hexadecanoyl Chloride

2. 112-67-4

3. Palmitic Acid Chloride

4. Hexadecanoyl-chloride-

5. 7642r2josb

6. Nsc-9854

7. Mfcd00000742

8. Hexadecanoic Acid, Chloride

9. Unii-7642r2josb

10. Palmitic Chloride

11. Hsdb 5573

12. Hexadecanoylchloride

13. Nsc 9854

14. Einecs 203-996-7

15. N-hexadecanoyl Chloride

16. 1-hexadecanoyl Chloride

17. Ai3-52614

18. Hexadecanoic Acid Chloride

19. Palmitoyl Chloride, 98%

20. Ec 203-996-7

21. Schembl154949

22. Dtxsid4051582

23. Nsc9854

24. Hexadecanoyl Chloride [hsdb]

25. Akos009031460

26. Fs-4452

27. Hexadecanoyl Chloride Palmitoyl Chloride

28. Ft-0658682

29. P0009

30. Palmitoyl Chloride, Purum, >=97.0% (gc)

31. A802629

32. Q-201534

33. Q27266453

34. F0001-0260

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 274.9 g/mol
Molecular Formula C16H31ClO
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count18
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
112-67-4
Kojic Acid
PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...
PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.
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