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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

CAS 4521-61-3
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 Weight 230.64 g/mol
Molecular Formula C10H11ClO4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area44.8
Heavy Atom Count15
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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01

PMC Isochem

France
  • fda
  • EDQM
  • WHO-GMP

Virtual BoothPMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

3,4,5-Trimethoxybenzoyl chloride

CAS Number : 4521-61-3

End Use API :

About the Company : PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical a...

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END USE APIs

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02

ZACH System SA

Zach System is committed to providing Highly Customized Solutions for all your Development Programs.

Suanfarma

Suanfarma, at the Core of a Better Life.

Cohance Lifesciences

Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

Moehs Iberica

Moehs Group, a reference company in the production of pharmaceutical active ingredients.

PMC Isochem

PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

Capital Farma

Capital Farma, a leading European pharmaceutical company focusing on the development & distribution of niche APIs & Pharma Services.

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