CAS 542-18-7

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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 Formula	C₆H₁₁Cl
Molecular Weight	118.60 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	118.0549280 g/mol
Monoisotopic Mass	118.0549280 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
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