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CAS 3350-78-5 manufacturers and suppliers on PharmaCompass

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CAS 3350-78-5
Also known as: 3350-78-5, 3-methylbut-2-enoyl chloride, 3-methylcrotonoyl chloride, 3-methyl-2-butenoyl chloride, 3-methyl-but-2-enoyl chloride, 2-butenoyl chloride, 3-methyl-
Molecular Formula
C5H7ClO
Molecular Weight
118.56  g/mol
InChI Key
BDUBTLFQHNYXPC-UHFFFAOYSA-N
FDA UNII
F5J5J5448C

1 2D Structure

CAS 3350-78-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methylbut-2-enoyl chloride
2.1.2 InChI
InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3
2.1.3 InChI Key
BDUBTLFQHNYXPC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=CC(=O)Cl)C
2.2 Other Identifiers
2.2.1 UNII
F5J5J5448C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3350-78-5

2. 3-methylbut-2-enoyl Chloride

3. 3-methylcrotonoyl Chloride

4. 3-methyl-2-butenoyl Chloride

5. 3-methyl-but-2-enoyl Chloride

6. 2-butenoyl Chloride, 3-methyl-

7. 3,3-dimethylacrylyl Chloride

8. F5j5j5448c

9. 3,3-dimethylacryloylchloride

10. Senecioyl Chloride

11. Einecs 222-109-4

12. Dimethylacrylyl Chloride

13. Dimethyl Acryloyl Chloride

14. Beta-methylcrotonyl Chloride

15. 3-methyl-crotonoyl Chloride

16. 3-methylbut-2-enoylchloride

17. 3-methylbut-2-en-oylchloride

18. Schembl250153

19. Unii-f5j5j5448c

20. 3,3 Dimethyl Acryloyl Chloride

21. 3,3-dimethyl Acryloyl Chloride

22. 3,3-dimethyl-acryloyl Chloride

23. 3,3,-dimethyl Acryloyl Chloride

24. 3-methyl-2-butenoyl Chloride #

25. Dtxsid80187146

26. 3-methyl-2-butenoic Acid Chloride

27. 3-methyl-but-2-en-1-oyl Chloride

28. Zinc2140825

29. Bbl027309

30. Mfcd00000730

31. Stl373494

32. Akos015902972

33. Beta,beta-dimethylacrylic Acid Chloride

34. Vs-08522

35. Db-048426

36. Ft-0634794

37. E80417

38. A822262

39. J-512896

40. 3-methylbut-2-enoyl Chloride Contains 400 Ppm Phenothiazine As Inhibitor

41. 3,3-dimethylacryloyl Chloride, 97%, Contains 400 Ppm Phenothiazine As Inhibitor

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 118.56 g/mol
Molecular Formula C5H7ClO
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass118.0185425 g/mol
Monoisotopic Mass118.0185425 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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