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Also known as: O-toluoyl chloride, 933-88-0, Benzoyl chloride, 2-methyl-, O-methylbenzoyl chloride, 2-toluoyl chloride, O-toluic acid chloride
Molecular Formula
C8H7ClO
Molecular Weight
154.59  g/mol
InChI Key
GPZXFICWCMCQPF-UHFFFAOYSA-N
FDA UNII
J9YKN18E7R

CAS 933-88-0
1 2D Structure

CAS 933-88-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methylbenzoyl chloride
2.1.2 InChI
InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
2.1.3 InChI Key
GPZXFICWCMCQPF-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
J9YKN18E7R
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. O-toluoyl Chloride

2. 933-88-0

3. Benzoyl Chloride, 2-methyl-

4. O-methylbenzoyl Chloride

5. 2-toluoyl Chloride

6. O-toluic Acid Chloride

7. 2-methylbenzoic Acid Chloride

8. Einecs 213-273-8

9. J9ykn18e7r

10. Ccris 8618

11. Dtxsid1061314

12. Dtxcid3048861

13. 213-273-8

14. Inchi=1/c8h7clo/c1-6-4-2-3-5-7(6)8(9)10/h2-5h,1h

15. Methylbenzoyl Chloride

16. 37808-28-9

17. 2-methyl-benzoyl Chloride

18. 2-methylbenzoylchloride

19. 2-methyl Benzoyl Chloride

20. Unii-j9ykn18e7r

21. Toluoylchloride

22. O-toloyl Chloride

23. O-toluic Chloride

24. 2-methylbenzoic Acid Chloride; 2-methylbenzoyl Chloride; 2-toluoyl Chloride; O-methylbenzoyl Chloride; O-toluic Acid Chloride

25. Einecs 253-674-5

26. Orthotoluoyl Chloride

27. Mfcd00000668

28. O-methylbenzoylchloride

29. Ortho-toluoyl Chloride

30. O-toluoyl Chloride, 99%

31. Schembl93382

32. 2-methyl-benzoic Acid Chloride

33. Str00279

34. Stl141092

35. Akos005256976

36. Ft63510

37. Db-057397

38. Db-265530

39. Ns00039553

40. T0310

41. En300-56164

42. Q27281395

43. F2190-0039

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 154.59 g/mol
Molecular Formula C8H7ClO
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area17.1
Heavy Atom Count10
Formal Charge0
Complexity133
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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