CAS 20443-98-5

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9 Related Intermediates

Chemistry

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Also known as: 20443-98-5, 2-(bromomethyl)-1,3-dichlorobenzene, Alpha-bromo-2,6-dichlorotoluene, Benzene, 2-(bromomethyl)-1,3-dichloro-, 2,6-dichlorobenzylbromide, 1-bromomethyl-2,6-dichlorobenzene

Molecular Formula

C₇H₅BrCl₂

Molecular Weight

239.92 g/mol

InChI Key

PDFGFQUSSYSWNI-UHFFFAOYSA-N

FDA UNII

MP9K6Y018H

1 2D Structure

CAS 20443-98-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(bromomethyl)-1,3-dichlorobenzene

2.1.2 InChI

InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

2.1.3 InChI Key

PDFGFQUSSYSWNI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)Cl)CBr)Cl

2.2 Other Identifiers

2.2.1 UNII

MP9K6Y018H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 20443-98-5

2. 2-(bromomethyl)-1,3-dichlorobenzene

3. Alpha-bromo-2,6-dichlorotoluene

4. Benzene, 2-(bromomethyl)-1,3-dichloro-

5. 2,6-dichlorobenzylbromide

6. 1-bromomethyl-2,6-dichlorobenzene

7. .alpha.-bromo-2,6-dichlorotoluene

8. A-bromo-2,6-dichlorotoluene

9. Mp9k6y018h

10. Nsc-93898

11. Einecs 243-827-4

12. Nsc 93898

13. Brn 0637351

14. 2,6 Dichloro Benzyl Bromide

15. Benzene, 2-(bromomethyl)-1,3-dichloro- (9ci)

16. Mfcd00000577

17. Toluene, Alpha-bromo-2,6-dichloro-

18. Schembl9770

19. Unii-mp9k6y018h

20. 2, 6-dichlorobenzyl Bromide

21. 4-05-00-00834 (beilstein Handbook Reference)

22. 2,6-di Chloro Benzyl Bromide

23. Dtxsid60174392

24. 2,6-dichlorobenzyl Bromide, 97%

25. 2-bromomethyl-1,3-dichlorobenzene

26. Act00502

27. Nsc93898

28. Str03144

29. Zinc1609561

30. Stl280128

31. 2-(brornomethyl)-1,3-dichlorobenzene

32. Akos007929978

33. 2-(bromomethyl)-1,3-dichloro-benzene

34. Am84244

35. Toluene, .alpha.-bromo-2,6-dichloro-

36. 2-(bromomethyl)-1,3-dichlorobenzene #

37. Ac-26185

38. D1749

39. Ft-0610602

40. A22382

41. W-107620

42. F0001-0724

43. (6-bromo-imidazo[1,2-a]pyridin-2-yl)-aceticacid

44. Alpha-bromo-2,6-dichloro-toluen;2-(bromomethyl)-1,3-dichlorobenzene

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅BrCl₂
Molecular Weight	239.92 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	237.89517 g/mol
Monoisotopic Mass	237.89517 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1