Cas no 138-25-0 (3,5-Bis(methoxycarbonyl)benzenesulfonic acid)
138-25-0 structure
Product Name:3,5-Bis(methoxycarbonyl)benzenesulfonic acid
3,5-Bis(methoxycarbonyl)benzenesulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Bis(methoxycarbonyl)benzenesulfonic acid
- 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-dimethyl ester
- dimethyl 5-sulphoisophthalate
- EINECS 205-320-6
- Isophthalic acid,5-sulfo-,1,3-dimethyl ester
- Isophthalicacid, 5-sulfo-, 1,3-dimethyl ester (7CI,8CI)
- 5-Sulfoisophthalic acid,1,3-dimethyl ester
- Dimethyl 5-sulfoisophthalate
- Dimethyl Isophthalate-5-sulfonate
- 3,5-dicarbomethoxybenzenesulfonic acid
- 5-Sulfo-1,3-benzenedicarboxylic acid 1,3-dimethyl ester
- 5-Sulfoisophthalic acid 1,3-dimethyl ester
- 1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester
- 5-SULFOISOPHTHALIC ACID, 1,3-DIMETHYL ESTER
- dimethyl-5-sulfo-isophthalate
- CDS1_004360
- CHEMBL3306796
- MFCD00071796
- Q27281674
- Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester
- HTXMGVTWXZBZNC-UHFFFAOYSA-N
- DTXSID9027071
- DivK1c_005400
- dimethyl5-sulphoisophthalate
- dimethyl-5-sulfoisophthalate
- JS70NYE79X
- AKOS015960421
- FT-0625113
- Dimethyl 5-sulfoisophthalate sodium salt
- MixCom6_000968
- UNII-JS70NYE79X
- SCHEMBL124987
- NS00011521
- 138-25-0
- CBMicro_023944
- 1,3-dimethyl 5-sulfoisophthalate
-
- Inchi： 1S/C10H10O7S/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h3-5H,1-2H3,(H,13,14,15)
- InChI Key： HTXMGVTWXZBZNC-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(=O)OC)C=C(C(=O)OC)C=1)(=O)(=O)O
Computed Properties
- Exact Mass: 274.01500
- Monoisotopic Mass: 274.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 398
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.4
- Topological Polar Surface Area: 115A^2
Experimental Properties
- Density: 1.458
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.543
- PSA: 115.35000
- LogP: 1.58730
3,5-Bis(methoxycarbonyl)benzenesulfonic acid Customs Data
- Customs Data：
Japancustoms code:
291470000Summary:
291470000. Halogenated, sulphonated, nitrated or nitrosated derivatives of Ketones and quinones, whether or not with other oxygen function. General tariff:0.046. WTO tariff:0.039. GSP tariff:Free
3,5-Bis(methoxycarbonyl)benzenesulfonic acid Related Literature
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Chunmei Zhang,Jingsha Li,Changming Li,Wei Chen,Chunxian Guo J. Mater. Chem. A 2021 9 25706
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2. π-Complexes of platinum(II) with unsaturated hydrocarbons. Part II. Crystal and molecular structure of trans-dichloro-(π-di-t-butylacetyl-ene)-p-toluidineplatinum(II)Gwyneth R. Davies,W. Hewertson,R. H. B. Mais,P. G. Owston,C. G. Patel J. Chem. Soc. A 1970 1873
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Ernst Bergmann,Jehuda Hirshberg J. Chem. Soc. 1936 331
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4. LIV.—Rate of escape of ammonia from aqueous solutionEdgar Philip Perman J. Chem. Soc. Trans. 1898 73 511
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