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Technical details about CAS 6962-92-1, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 6962-92-1, 1-acetoxy-4-chlorobutane, 4-chlorobutylacetate, 4-chloro-n-butyl acetate, 1-chloro-4-acetoxybutane, 1-butanol, 4-chloro-, acetate
Molecular Formula
C6H11ClO2
Molecular Weight
150.60  g/mol
InChI Key
PYLDCZJUHYVOAF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chlorobutyl acetate
2.1.2 InChI
InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
2.1.3 InChI Key
PYLDCZJUHYVOAF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)OCCCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6962-92-1

2. 1-acetoxy-4-chlorobutane

3. 4-chlorobutylacetate

4. 4-chloro-n-butyl Acetate

5. 1-chloro-4-acetoxybutane

6. 1-butanol, 4-chloro-, Acetate

7. 4-chloro-1-butanol Acetate

8. 4-chlorbut-1-ylacetat

9. 1-butanol, 4-chloro-, 1-acetate

10. Nsc 53492

11. Nsc 54074

12. Acetic Acid 4-chlorobutyl Ester

13. Acetic Acid 4-chloro-butyl Ester

14. .omega.-chlorobutyl Acetate

15. Delta-chlorobutyl Acetate

16. 4-chlorbut-1-ylacetat [german]

17. Einecs 230-158-8

18. Brn 1749681

19. Ai3-16503

20. .delta.-chlorobutyl Acetate

21. 4-02-00-00147 (beilstein Handbook Reference)

22. 4-chlorobutyl Acetate, 98%

23. Schembl1270067

24. Acetic Acid=4-chlorobutyl Ester

25. Pyldczjuhyvoaf-uhfffaoysa-

26. Dtxsid20884344

27. Nsc53492

28. Nsc54074

29. Zinc1684560

30. Mfcd00001013

31. Nsc-53492

32. Nsc-54074

33. Akos006221691

34. Cs-w010967

35. Fs-4206

36. Ft-0607276

37. En300-66013

38. H10679

39. A836572

40. W-104612

41. F0001-1810

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.60 g/mol
Molecular Formula C6H11ClO2
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass150.0447573 g/mol
Monoisotopic Mass150.0447573 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity83.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1