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CAS 74-96-4
Also known as: 74-96-4, Ethyl bromide, Ethane, bromo-, 1-bromoethane, Monobromoethane, Bromic ether
Molecular Formula
C2H5Br
Molecular Weight
108.97  g/mol
InChI Key
RDHPKYGYEGBMSE-UHFFFAOYSA-N
FDA UNII
LI8384T9PH

1 2D Structure

CAS 74-96-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
bromoethane
2.1.2 InChI
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
2.1.3 InChI Key
RDHPKYGYEGBMSE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCBr
2.2 Other Identifiers
2.2.1 UNII
LI8384T9PH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 74-96-4

2. Ethyl Bromide

3. Ethane, Bromo-

4. 1-bromoethane

5. Monobromoethane

6. Bromic Ether

7. Hydrobromic Ether

8. Bromure D'ethyle

9. Ethylbromide

10. Bromo-ethane

11. Etylu Bromek

12. Halon 2001

13. Nci-c55481

14. C2h5br

15. Nsc 8824

16. Bromoethane (ethyl Bromide)

17. Li8384t9ph

18. Nsc-8824

19. Etylu Bromek [polish]

20. Ccris 2504

21. Hsdb 532

22. Einecs 200-825-8

23. Un1891

24. Nci-554813

25. Unii-li8384t9ph

26. Bromodiborane

27. Ethylbromidium

28. Bromo Ethane

29. Ai3-04462

30. 1-bromethane

31. 2-ethyl Bromide

32. 1-bromo Ethane

33. Et-br

34. Ch3ch2br

35. 1-bromo-ethane

36. Dsstox_cid_199

37. Bromoethane [iarc]

38. Ec 200-825-8

39. Ethyl Bromide [mi]

40. Schembl2322

41. Dsstox_rid_75428

42. Dsstox_gsid_20199

43. Ethyl Bromide [hsdb]

44. Wln: E2

45. Chembl156378

46. Schembl2319234

47. Dtxsid6020199

48. Chebi:47232

49. Nsc8824

50. Bromoethane, Reagent Grade, 98%

51. Cs-d1408

52. Tox21_200355

53. Mfcd00000232

54. Stl197475

55. Akos000118754

56. Ethyl Bromide [un1891] [poison]

57. Bromoethane, Reagentplus(r), >=99%

58. Un 1891

59. Cas-74-96-4

60. Ncgc00091117-01

61. Ncgc00091117-02

62. Ncgc00257909-01

63. Bbx

64. Bs-43810

65. B0588

66. Ft-0623246

67. C19354

68. Q412245

69. F0001-1861

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 108.97 g/mol
Molecular Formula C2H5Br
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass107.95746 g/mol
Monoisotopic Mass107.95746 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count3
Formal Charge0
Complexity2.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Absorption, Distribution and Excretion

Absorption and excretion through the lungs is rapid ... .

Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V5: 173


Ethyl bromide has been shown to be absorbed through intact rabbit skin. Ethyl bromide was detected in the rabbits' exhaled air after 20 minutes of skin contact.

American Conference of Governmental Industrial Hygienists. Documentation of the TLVs and BEIs with Other World Wide Occupational Exposure Values. 7th Ed. CD-ROM Cincinnati, OH 45240-1634 2013., p. 3


Ethyl bromide administered intraperitoneally to rats and mice was found to be rapidly detoxified and did not accumulate upon repeated administration.

American Conference of Governmental Industrial Hygienists. Documentation of the TLVs and BEIs with Other World Wide Occupational Exposure Values. 7th Ed. CD-ROM Cincinnati, OH 45240-1634 2013., p. 4


Unchanged bromoethane account for approximately 70% of the dose in the expired air of rats dosed orally by gavage.

IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V71 1306 (1999)


4.2 Metabolism/Metabolites

... It may be hydrolyzed to a significant degree in body, resulting in formation of inorganic bromides.

Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V5: 173


Ethylmercapturic acid is also an ethyl bromide metabolite as shown by its appearance in the urine of rats administered 1.25 g/kg subcutaneous doses of ethyl bromide. This finding was supported by the presence of S-ethyl-cysteine in acid-treated urine.

Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V5: 172


Ethyl bromide is a substrate for glutathione S-transferase. Female Wistar rats given 1.16 millimoles of ethyl bromide in oil by gavage were sacrificed 2 hours later, and livers were assayed for glutathione; ethyl bromide-treated rats showed liver glutathione levels 52% that of controls.

Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V5: 172


The substrate specificity of ammonia monooxygenase in whole cells of the nitrifying bacterium Nitrosomonas europaea have been determined for a number of aliphatic halogenated hydrocarbons. The effect of the halogen substituent and carbon chain length on substrate reactivity was studied by measuring the rates of oxidation of monohalogenated ethanes (fluoroethane, chloroethane, bromoethane, and iodoethane) by whole cells of Nitrosomonas europaea. For monohalogenated ethanes, acetaldehyde was the major organic product and little or none of any of the alternate predicted products (2-halogenated alcohols) were detected.

PMID:2394686 Full text: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC213201 Rasche ME et al; J Bacteriol 172 (9): 5368-73 (1990)


For more Metabolism/Metabolites (Complete) data for Ethyl bromide (7 total), please visit the HSDB record page.


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Voriconazole
Telangana Pharmatech is a specialty pharmaceutical company engaged in the drug development, manufacture a...
Telangana Pharmatech is a specialty pharmaceutical company engaged in the drug development, manufacture and commercialization of pharmaceutical products. The company is floated by eminent professionals with vast experience in production, Research and Development, quality Assurance and marketing of API's and formulated medicines in India and abroad. Telangana Pharmatech Focuses On Development Of Novel Scaffolds And Design Of New Synthetic Routes For NCEs, Optimize Existing Route To Scale Up By Reducing Steps, Time And Cost. FTE Based Synthesis With Multiple-Chemist Multistage Synthesis.
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Tamoxifen Citrate
V & V Pharma Industries is a Manufacturer & Exporter of Active Pharmaceutical Ingredients (API's), Pharma...
V & V Pharma Industries is a Manufacturer & Exporter of Active Pharmaceutical Ingredients (API's), Pharmaceutical Intermediates & Specialty Chemicals. V & V Pharma Industries is continuously engaged in the development of emerging technologies in collaboration with many Institutes & industrial centers of excellence. We have worked extensively and developed innovative technologies in the area of APIs intermediates Technology. Our innovative team of chemists has a proven track record in: process development, process optimization and scale-up.
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