1-Propanesulfonic acid - CAS 5284-66-2

Catalog:	BB027966
Product Name:	1-Propanesulfonic acid
CAS:	5284-66-2
Synonyms:	propane-1-sulfonic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	propane-1-sulfonic acid
Description:	1-Propanesulfonic acid (CAS# 5284-66-2 ) is a useful research chemical.
Molecular Weight:	124.16
Molecular Formula:	C3H8O3S
Canonical SMILES:	CCCS(=O)(=O)O
InChI:	InChI=1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)
InChI Key:	KCXFHTAICRTXLI-UHFFFAOYSA-N
Melting Point:	8 °C
Purity:	95 %
Density:	1.25 g/cm³
Appearance:	Clear brown to dark brown liquid
MDL:	MFCD00041889
LogP:	1.36500

Publication Number	Title	Priority Date
CN-112608606-A	Cooling polymer modified asphalt material and preparation method thereof	20201204
EP-3889980-A1	Process for producing polymer capacitors for high reliability applications	20200402
WO-2021195183-A1	Compositions and methods for inhibiting protein embryonic ectoderm development activity and treating disease	20200324
KR-20210110102-A	Soil conditioner composition and uses thereof	20200228
WO-2021172951-A1	Composition for improving soil and use thereof	20200228

PMID	Publication Date	Title	Journal
22980899	20121215	Measurement of the influence of flavonoids on DNA repair kinetics using the comet assay	Food chemistry
22581715	20120801	Copolymer nanoparticles composed of sulfobetaine and poly(ε-caprolactone) as novel anticancer drug carriers	Journal of biomedical materials research. Part A
22931609	20120801	[A novel method for studying nuclear localization signal-mediated nuclear translocation]	Nan fang yi ke da xue xue bao = Journal of Southern Medical University
22446929	20120701	A mutagenesis-derived broad-spectrum disease resistance locus in wheat	TAG. Theoretical and applied genetics. Theoretische und angewandte Genetik
22516802	20120701	Chlamydia trachomatis serovar L2 infection model using human lymphoid Jurkat cells	Microbial pathogenesis

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.01941529
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	124.01941529
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0