CAS 821-06-7

Chemistry, 1 End Use API, 4 Related Intermediates

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Also known as: 821-06-7, (e)-1,4-dibromobut-2-ene, Trans-1,4-dibromo-2-butene, (e)-1,4-dibromo-2-butene, 1,4-dibromobut-2-ene, 6974-12-5

Molecular Formula

C₄H₆Br₂

Molecular Weight

213.90 g/mol

InChI Key

RMXLHIUHKIVPAB-OWOJBTEDSA-N

1 2D Structure

CAS 821-06-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-1,4-dibromobut-2-ene

2.1.2 InChI

InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+

2.1.3 InChI Key

RMXLHIUHKIVPAB-OWOJBTEDSA-N

2.1.4 Canonical SMILES

C(C=CCBr)Br

2.1.5 Isomeric SMILES

C(/C=C/CBr)Br

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Trans-1,4-dibromo-2-butene

2.2.2 Depositor-Supplied Synonyms

1. 821-06-7

2. (e)-1,4-dibromobut-2-ene

3. Trans-1,4-dibromo-2-butene

4. (e)-1,4-dibromo-2-butene

5. 1,4-dibromobut-2-ene

6. 6974-12-5

7. 2-butene, 1,4-dibromo-, (2e)-

8. Trans-1,4-dibromobut-2-ene

9. (2e)-1,4-dibromobut-2-ene

10. 1,4-dibromo-2-butylene

11. Tl 80

12. 2-butene, 1,4-dibromo-

13. (2e)-1,4-dibromo-2-butene

14. 30794-77-5

15. Mfcd00000249

16. Einecs 212-472-7

17. Brn 1719696

18. Einecs 230-219-9

19. 2-butene, 1,4-dibromo-, (e)-

20. Brn 1719694

21. 2-butene, 1,4-dibromo-, Trans-

22. 1,4-dibromo-2-buten

23. Dsstox_cid_4941

24. E-1,4-dibromobut-2-ene

25. Ec 212-472-7

26. Dsstox_rid_77591

27. Dsstox_gsid_24941

28. 1,4-trans-dibromo-2-butene

29. 4-01-00-00791 (beilstein Handbook Reference)

30. Trans 1,4-dibromobut-2-ene

31. Schembl102759

32. Schembl137154

33. (e)-1,4-dibromo-but-2-ene

34. Chembl1324439

35. Dtxsid8024941

36. Act03298

37. Bcp28223

38. Zinc1602462

39. Tox21_202728

40. Stl280288

41. Trans-1,4-dibromo-2-butene, 99%

42. Akos015833855

43. Fs-4554

44. Ncgc00091773-01

45. Ncgc00260276-01

46. Cas-821-06-7

47. Ls-12982

48. Db-027256

49. Cs-0017873

50. D2944

51. A19492

52. D72529

53. F16803

54. 2-01-00-00177 (beilstein Handbook Reference)

55. W-104187

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₆Br₂
Molecular Weight	213.90 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	213.88158 g/mol
Monoisotopic Mass	211.88363 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	34.8
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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CAS Number

821-06-7

Intermediate Name

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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