1-Naphthalenesulfonic acid - CAS 85-47-2

Catalog:	BB037625
Product Name:	1-Naphthalenesulfonic acid
CAS:	85-47-2
Synonyms:	naphthalene-1-sulfonic acid

Technical Data

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Computed Properties

IUPAC Name:	naphthalene-1-sulfonic acid
Description:	1-Naphthalenesulfonic acid is a useful research chemical.
Molecular Weight:	208.23
Molecular Formula:	C10H8O3S
Canonical SMILES:	C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
InChI:	InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
InChI Key:	PSZYNBSKGUBXEH-UHFFFAOYSA-N
Boiling Point:	392 °C
Melting Point:	70-80 °C
Purity:	95%
Density:	1.423 g/cm³
Appearance:	Prisms
Storage:	Keep container closed when not in use. Corrosives area. Store in a cool, dry area away from incompatible substances.
LogP:	3.16730

Publication Number	Title	Priority Date
US-11033495-B1	Manufacturing of bupivacaine multivesicular liposomes	20210122
WO-2021019523-A1	A process for the preparation of cariprazine salt	20200923
US-10995271-B1	Bioorganic soil conditioner	20200716
EP-3708565-A1	Pyrimidinyloxyphenylamidines and the use thereof as fungicides	20200304
EP-3842100-A1	Anti-malarial agents	20191224

PMID	Publication Date	Title	Journal
23032912	20121114	Vibrational properties of the polymeric spin crossover (SCO) Fe(II) complexes [{Fe(4-amino-1,2,4-triazole)3}X2]n: a nuclear inelastic scattering (NIS), Raman and DFT study	Physical chemistry chemical physics : PCCP
22959225	20121101	The enzymatic lectin of field bean (Dolichos lablab): salt assisted lectin-sugar interaction	Phytochemistry
22967542	20120915	Application of a new capillary electrophoretic method for the determination of carbohydrates in forensic, pharmaceutical, and beverage samples	Talanta
22499835	20120701	Detection of naphthalene sulfonates from highly saline brines with high-performance liquid chromatography in conjunction with fluorescence detection and solid-phase extraction	Journal of chromatographic science
22821493	20120701	On-line preconcentration of perfluorooctanoic acid and perfluorooctanesulfonic acid by nonaqueous capillary electrophoresis	Electrophoresis

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[874-87-3]
4-(Methylthio)benzyl chloride
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

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GHS Hazard Statement:	H302 (93.75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.01941529
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.01941529
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9