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CAS 542-18-7 manufacturers and suppliers on PharmaCompass

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CAS 542-18-7
Also known as: 542-18-7, Cyclohexyl chloride, Cyclohexane, chloro-, Monochlorocyclohexane, Chlorcyclohexan, Chlorzyklohexan
Molecular Formula
C6H11Cl
Molecular Weight
118.60  g/mol
InChI Key
UNFUYWDGSFDHCW-UHFFFAOYSA-N
FDA UNII
PNV8C821FH

1 2D Structure

CAS 542-18-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
chlorocyclohexane
2.1.2 InChI
InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
2.1.3 InChI Key
UNFUYWDGSFDHCW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)Cl
2.2 Other Identifiers
2.2.1 UNII
PNV8C821FH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 542-18-7

2. Cyclohexyl Chloride

3. Cyclohexane, Chloro-

4. Monochlorocyclohexane

5. Chlorcyclohexan

6. Chlorzyklohexan

7. Chloro-cyclohexane

8. Pnv8c821fh

9. Nsc-8434

10. Einecs 208-806-6

11. Hsdb 2801

12. Nsc 8434

13. Unii-pnv8c821fh

14. Brn 1900796

15. Ai3-23841

16. Chlor-cyclohexane

17. Cyclohexylchloride

18. Chloranylcyclohexane

19. 2-chlorocyclohexane

20. Chlorocyclohexane, 99%

21. Ec 208-806-6

22. Schembl22803

23. 4-05-00-00048 (beilstein Handbook Reference)

24. Chlorocyclohexane [hsdb]

25. Cyclohexyl Chloride [mi]

26. Dtxsid3052193

27. Chebi:39156

28. Nsc8434

29. Zinc1586739

30. Mfcd00003822

31. Stl280356

32. Akos005207255

33. Am90219

34. Ls-13160

35. Db-021196

36. Ft-0624210

37. A830041

38. J-520026

39. Q15402014

40. 5-bromo-4-chloro-3-indolylalpha-d-mannopyranoside

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 118.60 g/mol
Molecular Formula C6H11Cl
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass118.0549280 g/mol
Monoisotopic Mass118.0549280 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity46.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Absorption, Distribution and Excretion

THEY DO NOT TEND TO ACCUMULATE IN BODY TISSUES... /ALICYCLIC HYDROCARBONS/

Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1208


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