Crotyl chloride, predominantly trans, 95%

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Also known as: Crotyl chloride, (e)-1-chlorobut-2-ene, 591-97-9, 4894-61-5, 2-butenyl chloride, (e)-1-chloro-2-butene

Molecular Formula

C₄H₇Cl

Molecular Weight

90.55 g/mol

InChI Key

YTKRILODNOEEPX-NSCUHMNNSA-N

FDA UNII

XX3QN28JUX

1 2D Structure

CAS 591-97-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-1-chlorobut-2-ene

2.1.2 InChI

InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+

2.1.3 InChI Key

YTKRILODNOEEPX-NSCUHMNNSA-N

2.1.4 Canonical SMILES

CC=CCCl

2.1.5 Isomeric SMILES

C/C=C/CCl

2.2 Other Identifiers

2.2.1 UNII

XX3QN28JUX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-butenyl Chloride

2. Crotyl Chloride

2.3.2 Depositor-Supplied Synonyms

1. Crotyl Chloride

2. (e)-1-chlorobut-2-ene

3. 591-97-9

4. 4894-61-5

5. 2-butenyl Chloride

6. (e)-1-chloro-2-butene

7. 2-butene, 1-chloro-, (2e)-

8. Crotyl Chloride, Predominantly Trans

9. Trans-1-chloro-2-butene

10. 2-butene, 1-chloro-

11. Trans-crotyl Chloride

12. 1-chloro-2-butene, (2e)-

13. 2-butene, 1-chloro-, (e)-

14. (e)-2-butenyl Chloride

15. Xx3qn28jux

16. Crotylchloride

17. .alpha.-chloro-.beta.-butylene

18. 1-chlorobut-2-ene

19. Krotylchlorid [czech]

20. Krotylchlorid

21. Crotyl Chloride,predominantly Trans

22. Gamma-methallyl Chloride

23. Gamma-methylallyl Chloride

24. Mfcd00000987

25. Einecs 209-739-5

26. Unii-xx3qn28jux

27. Brn 0605304

28. Unii-g6y5c34n83

29. Einecs 225-516-5

30. .gamma.-methallyl Chloride

31. Trans-1-chloro-but-2-ene

32. (2e)-1-chlorobut-2-ene

33. (e)-1-chloranylbut-2-ene

34. (e)-1-chloro-but-2-ene

35. (e)-crotyl Chloride

36. .gamma.-methylallyl Chloride

37. 2-01-00-00176 (beilstein Handbook Reference)

38. Cis,trans-1-chloro-2-butene

39. Amy618

40. (2e)-1-chloro-2-butene #

41. Dtxsid10884116

42. Trans-4-chloro-2-butene

43. Trans-but-2-enyl Chloride

44. G6y5c34n83

45. Zinc2034592

46. Akos000121060

47. Akos025311468

48. 2-butene, 1-chloro-, Trans-

49. Trans-.gamma.-methallyl Chloride

50. Crotyl Chloride (cis- And Trans-mixture)

51. Crotyl Chloride, Predominantly Trans, 95%

52. 1-chloro-2-butene (e)-form [mi]

53. A832206

54. Q22829214

55. Crotyl Chloride, Technical, (cis+trans), Mixture Of Cis- And Trans-isomers (~1:6), ~70% (gc)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₇Cl
Molecular Weight	90.55 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	90.0236279 g/mol
Monoisotopic Mass	90.0236279 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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