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CAS 54811-38-0 manufacturers and suppliers on PharmaCompass

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CAS 54811-38-0
Also known as: 54811-38-0, 5-iodo-2-methyl benzoic acid, 2-methyl-5-iodobenzoic acid, 5-iodo-2-methylbenzoicacid, Benzoic acid, 5-iodo-2-methyl-, Mfcd01570258
Molecular Formula
C8H7IO2
Molecular Weight
262.04  g/mol
InChI Key
WUBHOZQZSHGUFI-UHFFFAOYSA-N

1 2D Structure

CAS 54811-38-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-iodo-2-methylbenzoic acid
2.1.2 InChI
InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
2.1.3 InChI Key
WUBHOZQZSHGUFI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)I)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54811-38-0

2. 5-iodo-2-methyl Benzoic Acid

3. 2-methyl-5-iodobenzoic Acid

4. 5-iodo-2-methylbenzoicacid

5. Benzoic Acid, 5-iodo-2-methyl-

6. Mfcd01570258

7. 5-iodo-o-toluic Acid

8. 5-lodo-2-methylbenzoic Acid

9. Schembl1320693

10. 5-iodo-2-methylbenzoic Acid #

11. Dtxsid40347446

12. Benzoic Acid, 3-iodo-6-methyl-

13. Act01099

14. Bcp08718

15. Cs-d1105

16. Zinc14989452

17. Akos005146256

18. Ac-1065

19. Ds-0278

20. Sy021476

21. Db-007063

22. Am20040694

23. C2941

24. Ft-0647685

25. I0916

26. 811i380

27. J-517636

28. Z1431904351

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 262.04 g/mol
Molecular Formula C8H7IO2
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass261.94908 g/mol
Monoisotopic Mass261.94908 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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54811-38-0
5-iodo-2-methylbenzoic acid
Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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54811-38-0
5-Iodo-2-methylbenzoic acid
LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...
LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.
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79669-49-1
5-Bromo-2-methylbenzoic acid
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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