CAS 14794-31-1

Also known as: 14794-31-1, Ethyl succinyl chloride, Ethyl 3-(chloroformyl)propionate, Ethyl 4-chloro-4-oxobutyrate, Ethyl 4-chloro-4-oxobutanoate, 3-ethoxycarbonylpropionyl chloride

Molecular Formula

C₆H₉ClO₃

Molecular Weight

164.59 g/mol

InChI Key

IXZFDJXHLQQSGQ-UHFFFAOYSA-N

1 2D Structure

CAS 14794-31-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 4-chloro-4-oxobutanoate

2.1.2 InChI

InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3

2.1.3 InChI Key

IXZFDJXHLQQSGQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CCC(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 14794-31-1

2. Ethyl Succinyl Chloride

3. Ethyl 3-(chloroformyl)propionate

4. Ethyl 4-chloro-4-oxobutyrate

5. Ethyl 4-chloro-4-oxobutanoate

6. 3-ethoxycarbonylpropionyl Chloride

7. 3-carboethoxypropionyl Chloride

8. Propionic Acid, 3-(chloroformyl)-, Ethyl Ester

9. Mfcd00000751

10. Beta Carbethoxy Propionyl Chloride

11. Ethoxycarbonylpropionyl Chloride

12. Einecs 238-855-9

13. Ethyl Succinoyl Chloride

14. Ethyl4-chloro-4-oxobutanoate

15. 3-carbethoxypropanoyl Chloride

16. Schembl132199

17. Beta-carbethoxypropionylchloride

18. Ethyl4-chloro-4-oxo-butanoate

19. Ethyl 3-chlorocarbonylpropanoate

20. 3-carboethoxy-propionyl Chloride

21. Dtxsid4065818

22. Beta-carboethoxypropionyl Chloride

23. Ethyl 3-(chloroformyl)propanoate

24. .beta.-carbethoxypropionyl Chloride

25. Bcp13635

26. Zinc2242610

27. 3-(ethoxycarbonyl)propionyl Chloride

28. Ethyl 4-chloro-4-oxobutyrate, 95%

29. Akos000121214

30. .beta.-ethoxycarbonylpropionyl Chloride

31. 4-chloro-4-oxobutyric Acid Ethyl Ester

32. 4-chloro-4-oxo-butanoic Acid Ethyl Ester

33. As-12089

34. 3-chlorocarbonyl-propionic Acid Ethyl Ester

35. Db-042904

36. E0368

37. Ft-0625793

38. Ft-0626361

39. J-008428

40. F2190-0032

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₉ClO₃
Molecular Weight	164.59 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	164.0240218 g/mol
Monoisotopic Mass	164.0240218 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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

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Bhushilpa Chemicals was set up in 2001 with a vision to develop, manufacture and market specialty chemic...

Bhushilpa Chemicals was set up in 2001 with a vision to develop, manufacture and market specialty chemicals and drug intermediates through implementation of quality, regulatory, environmental and safety norms. Located in MIDC Kurkumbh, a dedicated pharmaceutical and chemical hub centre on the Pune Sholapur Highway (India), the unit is well equipped with plant and machinery and laboratory facilities to cater for the growing demand in the chemical industry.

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