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3587-60-8 manufacturers and suppliers on PharmaCompass

PharmaCompass
3587-60-8
Also known as: 3587-60-8, (chloromethoxymethyl)benzene, [(chloromethoxy)methyl]benzene, Chloromethoxymethylbenzene, Benzyloxymethyl chloride, Chloromethoxymethyl-benzene
Molecular Formula
C8H9ClO
Molecular Weight
156.61  g/mol
InChI Key
LADPCMZCENPFGV-UHFFFAOYSA-N
FDA UNII
9GR9P34HWY

1 2D Structure

3587-60-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
chloromethoxymethylbenzene
2.1.2 InChI
InChI=1S/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
2.1.3 InChI Key
LADPCMZCENPFGV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)COCCl
2.2 Other Identifiers
2.2.1 UNII
9GR9P34HWY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3587-60-8

2. (chloromethoxymethyl)benzene

3. [(chloromethoxy)methyl]benzene

4. Chloromethoxymethylbenzene

5. Benzyloxymethyl Chloride

6. Chloromethoxymethyl-benzene

7. ((chloromethoxy)methyl)benzene

8. 35364-99-9

9. Chloromethyl Benzyl Ether

10. Benzene, [(chloromethoxy)methyl]-

11. Mfcd00000886

12. Benzyl Chloromethyl Ether (90per Cent)

13. {(chloromethoxy)methyl}benzene

14. Benzyl (chloromethyl) Ether

15. Bomcl

16. Einecs 252-527-2

17. Benzyloxymethylchloride

18. Chloromethylbenzylether

19. Bom-cl

20. Choromethylbenzyl Ether

21. Chloromethyl Benzylether

22. Chloromethylbenzyl Ether

23. Benzyl Chlormethyl Ether

24. Ether, Benzyl Chloromethyl

25. 9gr9p34hwy

26. Schembl19520

27. Chloromethyl Phenylmethyl Ether

28. Dtxsid10956786

29. Ladpcmzcenpfgv-uhfffaoysa-n

30. Bcp31684

31. Akos006221189

32. Am100720

33. Sy003069

34. B1207

35. Cs-0015122

36. Ft-0600021

37. En300-91755

38. Benzyl Chloromethyl Ether, Technical, ~60% (nmr)

39. J-650079

40. Benzyl Chloromethyl Ether;(chloromethoxymethyl)benzene

41. F8881-5092

42. Inchi=1/c8h9clo/c9-7-10-6-8-4-2-1-3-5-8/h1-5h,6-7h

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 156.61 g/mol
Molecular Formula C8H9ClO
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area9.2
Heavy Atom Count10
Formal Charge0
Complexity79.3
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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