1,3-Dimethyl 5-sulfoisophthalate

Base Information

• Chemical Name: 1,3-Dimethyl 5-sulfoisophthalate
• CAS No.: 138-25-0
• Molecular Formula: C10H10 O7 S
• Molecular Weight: 274.2472
• European Community (EC) Number: 205-320-6
• UNII: JS70NYE79X
• DSSTox Substance ID: DTXSID9027071
• Nikkaji Number: J64.463C
• Wikidata: Q27281674
• ChEMBL ID: CHEMBL3306796
• Mol file: 138-25-0.mol

Synonyms:1,3-dimethyl 5-sulfoisophthalate;138-25-0;3,5-bis(methoxycarbonyl)benzenesulfonic acid;Dimethyl 5-sulphoisophthalate;EINECS 205-320-6;1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester;UNII-JS70NYE79X;dimethyl 5-sulfoisophthalate;dimethyl-5-sulfoisophthalate;JS70NYE79X;Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester;CDS1_004360;CBMicro_023944;dimethyl5-sulphoisophthalate;MixCom6_000968;dimethyl-5-sulfo-isophthalate;DivK1c_005400;SCHEMBL124987;CHEMBL3306796;DTXSID9027071;dimethyl isophthalate-5-sulfonate;MFCD00071796;AKOS015960421;5-Sulfoisophthalic acid 1,3-dimethyl ester;LS-178960;FT-0625113;5-SULFOISOPHTHALIC ACID, 1,3-DIMETHYL ESTER;Q27281674

Chemical Property of 1,3-Dimethyl 5-sulfoisophthalate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 115.35000
• Density: 1.458g/cm³
• LogP: 1.58730
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 274.01472383
• Heavy Atom Count: 18
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC