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110-04-3 molecular structure
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ethane-1,2-disulfonic acid

ChemBase ID: 127316
Molecular Formular: C2H6O6S2
Molecular Mass: 190.19544
Monoisotopic Mass: 189.96057991
SMILES and InChIs

SMILES:
OS(=O)(=O)CCS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)CCS(=O)(=O)O
InChI:
InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey:
AFAXGSQYZLGZPG-UHFFFAOYSA-N

Cite this record

CBID:127316 http://www.chembase.cn/molecule-127316.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethane-1,2-disulfonic acid
IUPAC Traditional name
ethanedisulfonic acid
Synonyms
Edisylate
Ethanedisulfonic acid
1,2-Ethanedisulfonic acid hydrate
1,2-乙二磺酸水合物
CAS Number
110-04-3
EC Number
203-732-0
MDL Number
MFCD00069901
Merck Index
143724
PubChem SID
162221637
PubChem CID
8032
Chemspider ID
7741
Wikipedia Title
Ethanedisulfonic_acid

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.1523328  H Acceptors
H Donor LogD (pH = 5.5) -6.54068 
LogD (pH = 7.4) -6.540691  Log P -1.7878937 
Molar Refractivity 31.3416 cm3 Polarizability 14.17553 Å3
Polar Surface Area 108.74 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
172-174 °C
111-112 °C (dihydrate)
expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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