Sulfoacetic acid - CAS 123-43-3

Catalog:	BB005682
Product Name:	Sulfoacetic acid
CAS:	123-43-3
Synonyms:	2-sulfoacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-sulfoacetic acid
Description:	Sulfoacetic acid is a useful research chemical.
Molecular Weight:	140.12
Molecular Formula:	C2H4O5S
Canonical SMILES:	C(C(=O)O)S(=O)(=O)O
InChI:	InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChI Key:	AGGIJOLULBJGTQ-UHFFFAOYSA-N
Boiling Point:	DECOMP AT BP OF 245 °C
Melting Point:	84 °C
Density:	1.875 g/cm³
Solubility:	Soluble in water, & alcohol; insoluble in ether & chloroform.
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00007521
LogP:	0.03960

Publication Number	Title	Priority Date
WO-2015188072-A1	Mono alcohols for low temperature stability of isotropic liquid detergent compositions	20140605
US-2015344821-A1	Optimized surfactant ratio for improved rinse feel	20140529
WO-2015183611-A1	Optimized surfactant ratio for improved rinse feel	20140529
EP-2932959-A1	Surfactant compositions and highly oleaginous formulations containing same	20140417
EP-2932960-A1	Surfactant compositions and highly oleaginous formulations containing these	20140417

PMID	Publication Date	Title	Journal
22681542	20120703	Efficient reductive dechlorination of monochloroacetic acid by sulfite/UV process	Environmental science & technology
22689630	20120401	Formation of the bisulfite anion (HSO(3) (-) , m/z 81) upon collision-induced dissociation of anions derived from organic sulfonic acids	Journal of mass spectrometry : JMS
22125499	20111101	Evidence-based annotation of gene function in Shewanella oneidensis MR-1 using genome-wide fitness profiling across 121 conditions	PLoS genetics
21566796	20110210	Sterilization of exopolysaccharides produced by deep-sea bacteria: impact on their stability and degradation	Marine drugs
20693281	20101112	Sulfoacetate is degraded via a novel pathway involving sulfoacetyl-CoA and sulfoacetaldehyde in Cupriavidus necator H16	The Journal of biological chemistry

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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GHS Hazard Statement:	H312 (95%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.97794440
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	139.97794440
Rotatable Bond Count:	2
Topological Polar Surface Area:	100 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3