CAS 4521-61-3

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5 End Use APIs
1 Related Intermediates

Chemistry

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Also known as: 4521-61-3, Benzoyl chloride, 3,4,5-trimethoxy-, Trimethylgalloyl chloride, Tri-o-methylgalloyl chloride, 3,4,5-trimethoxybenzoylchloride, Mfcd00000675

Molecular Formula

C₁₀H₁₁ClO₄

Molecular Weight

230.64 g/mol

InChI Key

BUHYMJLFRZAFBF-UHFFFAOYSA-N

1 2D Structure

CAS 4521-61-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,4,5-trimethoxybenzoyl chloride

2.1.2 InChI

InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3

2.1.3 InChI Key

BUHYMJLFRZAFBF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4521-61-3

2. Benzoyl Chloride, 3,4,5-trimethoxy-

3. Trimethylgalloyl Chloride

4. Tri-o-methylgalloyl Chloride

5. 3,4,5-trimethoxybenzoylchloride

6. Mfcd00000675

7. Einecs 224-851-4

8. Nsc 91023

9. Nciopen2_005468

10. Schembl219096

11. 3,5-trimethoxybenzoyl Chloride

12. Dtxsid2063507

13. 3,4,5-trimethoxy-benzoylchloride

14. 3,4,5-trimethoxybenzoyl-chloride

15. Benzoyl Chloride,4,5-trimethoxy-

16. 3,4,5-trimethoxy-benzoyl Chloride

17. 3,4,5-trimethoxybenzoyl Chloride;

18. Nsc91023

19. Nsc-91023

20. 3.4.5-trimethoxybenzoic Acid Chloride

21. Akos000268689

22. 3,4,5-trimethoxybenzoyl Chloride, 98%

23. Sy049734

24. Vs-02936

25. Ft-0614166

26. T1842

27. En300-19837

28. W-109981

29. F2190-0056

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁ClO₄
Molecular Weight	230.64 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	44.8
Heavy Atom Count	15
Formal Charge	0
Complexity	208
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