CAS-2905-62-6

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Also known as: 2905-62-6, Benzoyl chloride, 3,5-dichloro-, 3,5-dichlorobenzoylchloride, S09182623n, Mfcd00009817, Einecs 220-813-6

Molecular Formula

C₇H₃Cl₃O

Molecular Weight

209.5 g/mol

InChI Key

GGHLXLVPNZMBQR-UHFFFAOYSA-N

FDA UNII

S09182623N

1 2D Structure

CAS 2905-62-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,5-dichlorobenzoyl chloride

2.1.2 InChI

InChI=1S/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H

2.1.3 InChI Key

GGHLXLVPNZMBQR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C=C1Cl)Cl)C(=O)Cl

2.2 Other Identifiers

2.2.1 UNII

S09182623N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2905-62-6

2. Benzoyl Chloride, 3,5-dichloro-

3. 3,5-dichlorobenzoylchloride

4. S09182623n

5. Mfcd00009817

6. Einecs 220-813-6

7. Rh-24,299

8. Unii-s09182623n

9. Dichlorobenzoylchloride(3,5-)

10. Dsstox_cid_7506

11. Ec 220-813-6

12. Dsstox_rid_78478

13. Dsstox_gsid_27506

14. Schembl93282

15. 3,5-dichloro Benzoyl Chloride

16. 3,5-dichloro-benzoyl Chloride

17. Chembl3184849

18. Dtxsid1027506

19. Amy14529

20. Zinc2166928

21. Tox21_200629

22. 3,5-dichlorobenzoyl Chloride, 96%

23. Akos005256295

24. 3,5-dichloro-1-benzenecarbonyl Chloride

25. Ncgc00164131-01

26. Ncgc00164131-02

27. Ncgc00258183-01

28. 3,5-dichlorobenzoic Acid Chloride

29. Ps-10776

30. Cas-2905-62-6

31. Db-022031

32. J149.672g

33. D1404

34. Ft-0614560

35. 05d626

36. E76469

37. A819744

38. W-107009

39. Q27288386

40. F2158-0705

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₃Cl₃O
Molecular Weight	209.5 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	207.924948 g/mol
Monoisotopic Mass	207.924948 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150
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