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Also known as: 622-24-2, Phenethyl chloride, 2-phenylethyl chloride, 2-chloroethylbenzene, Benzene, (2-chloroethyl)-, 1-chloro-2-phenylethane
Molecular Formula
C8H9Cl
Molecular Weight
140.61  g/mol
InChI Key
MNNZINNZIQVULG-UHFFFAOYSA-N
FDA UNII
C7T86VN1QZ

CAS	622-24-2
1 2D Structure

CAS	622-24-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloroethylbenzene
2.1.2 InChI
InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
2.1.3 InChI Key
MNNZINNZIQVULG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCCl
2.2 Other Identifiers
2.2.1 UNII
C7T86VN1QZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 622-24-2

2. Phenethyl Chloride

3. 2-phenylethyl Chloride

4. 2-chloroethylbenzene

5. Benzene, (2-chloroethyl)-

6. 1-chloro-2-phenylethane

7. 2-phenyl-1-chloroethane

8. .beta.-phenethyl Chloride

9. 1331-31-3

10. Beta-phenethyl Chloride

11. .beta.-phenylethyl Chloride

12. (.beta.-chloroethyl)benzene

13. 2-(chloroethyl)benzene

14. Nsc 27886

15. (2-chloro-ethyl)-benzene

16. C7t86vn1qz

17. Nsc-27886

18. Ethylchlorobenzene

19. 2-chloroethyl-benzene

20. Alpha-chloroethylbenzene

21. Beta-phenylethyl Chloride

22. Phenethylchloride

23. (beta-chloroethyl)benzene

24. Unii-c7t86vn1qz

25. Chloroethylbenzene

26. Phenylethyl Chloride

27. Einecs 210-725-6

28. Phenyl Ethyl Chloride

29. (2-chloroethyl) Benzene

30. (2-chloroethyl)-benzene

31. Schembl124719

32. (2-chloroethyl)benzene, 99%

33. Schembl5705619

34. ?-phenyl Ethyl Chloride

35. Dtxsid3060748

36. Hsdb 8375

37. Chloroethyl)benzene, (2-

38. Nsc27886

39. Bbl027318

40. Mfcd00000977

41. Stk802209

42. Akos000120652

43. Cs-w016446

44. Benzene, (.beta.-chloroethyl)-

45. Db-054098

46. Ns00022528

47. D70839

48. A833653

49. W-105031

50. Q27275303

51. F0001-1658

52. Inchi=1/c8h9cl/c9-7-6-8-4-2-1-3-5-8/h1-5h,6-7h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 140.61 g/mol
Molecular Formula C8H9Cl
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count9
Formal Charge0
Complexity65
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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