CAS 627-18-9

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Also known as: 3-bromopropan-1-ol, 627-18-9, Trimethylene bromohydrin, 1-propanol, 3-bromo-, 3-bromopropanol, 3-bromo-propan-1-ol

Molecular Formula

C₃H₇BrO

Molecular Weight

138.99 g/mol

InChI Key

RQFUZUMFPRMVDX-UHFFFAOYSA-N

FDA UNII

3T4AXH68FH

1 2D Structure

CAS 627-18-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-bromopropan-1-ol

2.1.2 InChI

InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

2.1.3 InChI Key

RQFUZUMFPRMVDX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CO)CBr

2.2 Other Identifiers

2.2.1 UNII

3T4AXH68FH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3-bromopropan-1-ol

2. 627-18-9

3. Trimethylene Bromohydrin

4. 1-propanol, 3-bromo-

5. 3-bromopropanol

6. 3-bromo-propan-1-ol

7. 3-hydroxypropyl Bromide

8. 1-bromo-3-propanol

9. 1-bromo-3-hydroxypropane

10. Unii-3t4axh68fh

11. Mfcd00002942

12. 3t4axh68fh

13. Ncgc00091086-02

14. Ccris 5979

15. 3-bromopropane-1-ol

16. Einecs 210-986-6

17. Brn 0969160

18. 3-brompropanol

19. Ai3-52315

20. 3-bromo Propanol

21. 3-bromo-propanol

22. 3-bromopropan-ol

23. Bromopropan-3-ol

24. 1-bromopropan-3-ol

25. 3-bromo Propan-1-ol

26. 3-bromanylpropan-1-ol

27. 3-bromopropanol-(1)

28. Dsstox_cid_4657

29. (3-hydroxypropyl)-bromide

30. 1-bromo-3-hydroxy-propane

31. 3-hydroxyprop-1-yl Bromide

32. Dsstox_rid_77485

33. Dsstox_gsid_24657

34. Schembl13044

35. 3-bromo-1-propanol, 97%

36. Chembl466545

37. Bromo-1-propanol, 3-

38. Dtxsid3024657

39. Bdbm36111

40. Chebi:144333

41. Str02760

42. Zinc2031639

43. Tox21_400042

44. Bbl027416

45. Stl371946

46. Akos015856419

47. Cs-w007337

48. Sb37999

49. Ncgc00091086-01

50. Ncgc00091086-03

51. Bp-30238

52. Bp-31189

53. Cas-627-18-9

54. Sy001898

55. Am20100533

56. B0641

57. Ft-0615126

58. A833950

59. J-512126

60. Q27257997

61. F0001-1683

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃H₇BrO
Molecular Weight	138.99 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	137.96803 g/mol
Monoisotopic Mass	137.96803 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	16.4
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