3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid

Modify Date: 2024-01-08 13:14:35

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid Structure
3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid structure
 Common Name 3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid
CAS Number 118939-18-7 Molecular Weight 232.22900
Density N/A Boiling Point N/A
Molecular Formula C9H9FO4S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H9FO4S
Molecular Weight 232.22900
Exact Mass 232.02100
PSA 79.82000
LogP 2.31660
InChIKey AMTWIUHPASHZQO-UHFFFAOYSA-N
SMILES Cc1c(C(=O)O)ccc(S(C)(=O)=O)c1F

 Synthetic Route

2-methyl-3-fluoro-4-methylsulfonyl-benzoic acid methyl ester structure

2-methyl-3-fluo...

CAS#:865179-90-4

~%

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid Structure

3-Fluoro-2-meth...

CAS#:118939-18-7

Literature: Bayer CropScience GmbH Patent: US2006/128568 A1, 2006 ; Location in patent: Page/Page column 8 ;
3-fluoro-2-methyl-4-(thiomethyl)benzoic acid structure

3-fluoro-2-meth...

CAS#:118287-06-2

~94%

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid Structure

3-Fluoro-2-meth...

CAS#:118939-18-7

Literature: Takeuchi, Craig S.; Kim, Byung Gyu; Blazey, Charles M.; Ma, Sunghoon; Johnson, Henry W. B.; Anand, Neel K.; Arcalas, Arlyn; Baik, Tae Gon; Buhr, Chris A.; Cannoy, Jonah; Epshteyn, Sergey; Joshi, Anagha; Lara, Katherine; Lee, Matthew S.; Wang, Longcheng; Leahy, James W.; Nuss, John M.; Aay, Naing; Aoyama, Ron; Foster, Paul; Lee, Jae; Lehoux, Isabelle; Munagala, Narsimha; Plonowski, Arthur; Rajan, Sharmila; Woolfrey, John; Yamaguchi, Kyoko; Lamb, Peter; Miller, Nicole Journal of Medicinal Chemistry, 2013 , vol. 56, # 6 p. 2218 - 2234
6-Bromo-2,3-difluorotoluene structure

6-Bromo-2,3-dif...

CAS#:847502-81-2

~%

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid Structure

3-Fluoro-2-meth...

CAS#:118939-18-7

Literature: Takeuchi, Craig S.; Kim, Byung Gyu; Blazey, Charles M.; Ma, Sunghoon; Johnson, Henry W. B.; Anand, Neel K.; Arcalas, Arlyn; Baik, Tae Gon; Buhr, Chris A.; Cannoy, Jonah; Epshteyn, Sergey; Joshi, Anagha; Lara, Katherine; Lee, Matthew S.; Wang, Longcheng; Leahy, James W.; Nuss, John M.; Aay, Naing; Aoyama, Ron; Foster, Paul; Lee, Jae; Lehoux, Isabelle; Munagala, Narsimha; Plonowski, Arthur; Rajan, Sharmila; Woolfrey, John; Yamaguchi, Kyoko; Lamb, Peter; Miller, Nicole Journal of Medicinal Chemistry, 2013 , vol. 56, # 6 p. 2218 - 2234
difluorotoluene structure

difluorotoluene

CAS#:3828-49-7

~%

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid Structure

3-Fluoro-2-meth...

CAS#:118939-18-7

Literature: Takeuchi, Craig S.; Kim, Byung Gyu; Blazey, Charles M.; Ma, Sunghoon; Johnson, Henry W. B.; Anand, Neel K.; Arcalas, Arlyn; Baik, Tae Gon; Buhr, Chris A.; Cannoy, Jonah; Epshteyn, Sergey; Joshi, Anagha; Lara, Katherine; Lee, Matthew S.; Wang, Longcheng; Leahy, James W.; Nuss, John M.; Aay, Naing; Aoyama, Ron; Foster, Paul; Lee, Jae; Lehoux, Isabelle; Munagala, Narsimha; Plonowski, Arthur; Rajan, Sharmila; Woolfrey, John; Yamaguchi, Kyoko; Lamb, Peter; Miller, Nicole Journal of Medicinal Chemistry, 2013 , vol. 56, # 6 p. 2218 - 2234
3,4-Difluoro-2-methylbenzoic acid structure

3,4-Difluoro-2-...

CAS#:157652-31-8

~%

3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid Structure

3-Fluoro-2-meth...

CAS#:118939-18-7

Literature: Takeuchi, Craig S.; Kim, Byung Gyu; Blazey, Charles M.; Ma, Sunghoon; Johnson, Henry W. B.; Anand, Neel K.; Arcalas, Arlyn; Baik, Tae Gon; Buhr, Chris A.; Cannoy, Jonah; Epshteyn, Sergey; Joshi, Anagha; Lara, Katherine; Lee, Matthew S.; Wang, Longcheng; Leahy, James W.; Nuss, John M.; Aay, Naing; Aoyama, Ron; Foster, Paul; Lee, Jae; Lehoux, Isabelle; Munagala, Narsimha; Plonowski, Arthur; Rajan, Sharmila; Woolfrey, John; Yamaguchi, Kyoko; Lamb, Peter; Miller, Nicole Journal of Medicinal Chemistry, 2013 , vol. 56, # 6 p. 2218 - 2234

 Synonyms

4-amino-3-fluoro-2-methoxypyridine
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Chemsrc provides CAS#:118939-18-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid>> amp version: 3-Fluoro-2-methyl-4-(methylsulfonyl)benzoic acid

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