CAS 52314-67-7

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Also known as: 52314-67-7, 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride, Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonylchloride, Cypermethric acid chloride, Permethric chloride

Molecular Formula

C₈H₉Cl₃O

Molecular Weight

227.5 g/mol

InChI Key

CHLAOFANYRDCPD-UHFFFAOYSA-N

1 2D Structure

CAS 52314-67-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride

2.1.2 InChI

InChI=1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3

2.1.3 InChI Key

CHLAOFANYRDCPD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C(C1C(=O)Cl)C=C(Cl)Cl)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52314-67-7

2. 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl Chloride

3. Cyclopropanecarbonyl Chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-

4. 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonylchloride

5. Cypermethric Acid Chloride

6. Permethric Chloride

7. Einecs 257-840-8

8. Unii-7433eg1zy9

9. 3-(2,2-dichloroethenyl)-2,2-dmethylcyclopropanecarbonyl Chloride

10. Schembl8409198

11. Dtxsid1028027

12. 7433eg1zy9

13. 3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarbonyl Chloride

14. Albb-031582

15. Mfcd00071724

16. Akos015900508

17. As-16149

18. Ft-0652297

19. 314d677

20. A829020

21. 2,2-dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonyl Chloride

22. 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl Chloride

23. 2,2-dimethyl-3-(dichlorovinyl)-cyclopropanecarboxylic Acid Chloride

24. 2-(2',2'-dichlorovinyl)-3,3-dimethylcyclopropanecarbonyl Chloride

25. 2-(2,2-dichlorovinyl)-3,3-dimethylcyclopropanecarbonyl Chloride

26. 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane Carboxoyl Chloride

27. 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl Chloride

28. 2,2-dimethyl-3-(2',2'-dichloro-vinyl)-cyclopropanecarboxylic Acid Chloride

29. 2,2-dimethyl-3-(2',2'-dichlorovinyl)-cyclopropanecarboxylic Acid Chloride

30. 2,2-dimethyl-3-(2,2-dichloroethenyl)cyclopropane Carboxylic Acid Chloride

31. 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic Acid Chloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₉Cl₃O
Molecular Weight	227.5 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	225.971898 g/mol
Monoisotopic Mass	225.971898 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1