Cas no 134178-05-5 (5-(methylsulfonyl)benzene-1,3-dicarboxylic acid)
134178-05-5 structure
Product Name:5-(methylsulfonyl)benzene-1,3-dicarboxylic acid
CAS No:134178-05-5
MF:C9H8O6S
MW:244.221221923828
CID:1234923
PubChem ID:179276
Update Time:2025-04-20
5-(methylsulfonyl)benzene-1,3-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(methylsulfonyl)benzene-1,3-dicarboxylic acid
- 5-methylsulfonylbenzene-1,3-dicarboxylic acid
- 134178-05-5
- 5-Methylsulfonylisophthalic acid
- DB-140004
- SCHEMBL3185974
- DTXSID90158584
- 5-methanesulfonylbenzene-1,3-dicarboxylic acid
- AKOS040804619
- Benzene-1,3-dicarboxylic acid, 5-methylsulfonyl-
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- Inchi： 1S/C9H8O6S/c1-16(14,15)7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
- InChI Key： UZNDNMWNNDUGIC-UHFFFAOYSA-N
- SMILES： S(C)(C1C=C(C(=O)O)C=C(C(=O)O)C=1)(=O)=O
Computed Properties
- Exact Mass: 244.00414
- Monoisotopic Mass: 244.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 371
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 117?2
Experimental Properties
- Density: 1.562
- Boiling Point: 602.9°C at 760 mmHg
- Flash Point: 318.4°C
- Refractive Index: 1.59
- PSA: 108.74
5-(methylsulfonyl)benzene-1,3-dicarboxylic acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
134178-05-5 (5-(methylsulfonyl)benzene-1,3-dicarboxylic acid) Related Products
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- 90536-91-7(3,5-Bis(methylsulfonyl)benzoic Acid)
- 4052-30-6(4-(Methylsulfonyl)benzoic acid)
- 16734-98-8(4'-(Methylsulfonyl)1,1'-Biphenyl-4-Carboxylic Acid)
- 22821-69-8(Methyl 3-(methylsulfonyl)benzoate)
- 1194374-32-7(3'-Methanesulfonyl-biphenyl-3-carboxylic Acid)
- 893736-70-4(4'-Methanesulfonyl-biphenyl-3-carboxylic Acid)
- 2449-35-6(4,4'-Sulfonylbis-benzoic Acid)
- 16734-97-7(3'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylic acid)
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