Propionyl Chloride

Synopsis, Chemistry

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Also known as: Propanoyl chloride, 79-03-8, Propionic acid chloride, Propionic chloride, Propionylchloride, Mfcd00000745

Molecular Formula

C₃H₅ClO

Molecular Weight

92.52 g/mol

InChI Key

RZWZRACFZGVKFM-UHFFFAOYSA-N

FDA UNII

MB6VL5OMB9

1 2D Structure

Propionyl Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propanoyl chloride

2.1.2 InChI

InChI=1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3

2.1.3 InChI Key

RZWZRACFZGVKFM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)Cl

2.2 Other Identifiers

2.2.1 UNII

MB6VL5OMB9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Propanoyl Chloride

2.3.2 Depositor-Supplied Synonyms

1. Propanoyl Chloride

2. 79-03-8

3. Propionic Acid Chloride

4. Propionic Chloride

5. Propionylchloride

6. Mfcd00000745

7. Un1815

8. Mb6vl5omb9

9. Nsc-83547

10. Unii-mb6vl5omb9

11. Propanoylchloride

12. Propanoic Chloride

13. Propionyl-chloride

14. Etcocl

15. Proprionyl Chloride

16. Einecs 201-170-0

17. Nsc 83547

18. Ethylcarbonyl Chloride

19. Propionyl Chloride, 98%

20. Chloro Ethyl Ketone

21. Ec 201-170-0

22. Propionyl Chloride [mi]

23. Dtxsid4058819

24. Hsdb 8374

25. Amy4112

26. Nsc83547

27. Str00513

28. Zinc1730995

29. Stl146550

30. Akos000121232

31. Jc10138

32. Un 1815

33. Un-1815

34. Db-004079

35. Ft-0652683

36. P0516

37. A839559

38. Propionyl Chloride [un1815] [flammable Liquid]

39. Q13534584

40. F2146-0406

41. Propanoyl Chloride;propionic Acid Chloride;propionyl Chloride

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₅ClO
Molecular Weight	92.52 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	92.0028925 g/mol
Monoisotopic Mass	92.0028925 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	42.2
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