AG00IDHY

85-47-2 | Naphthalene-1-sulfonic acid

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CAS Number	85-47-2
Catalog Number	AG00IDHY(AGN-PC-0WCZ6T)
Chemical Name	Naphthalene-1-sulfonic acid
IUPAC Name	naphthalene-1-sulfonic acid
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
MDL Number	MFCD00003987
Molecular Formula	C10H8O3S
Molecular Weight	208.2337
SMILES	O=S(C1=C2C=CC=CC2=CC=C1)(O)=O
UNII	0SJH61WM2J
Synonyms	1-naphthalenemonosulfonate, 1-naphthalenesulfonic acid, 1-NAPHTHALENESULFONIC ACID, 85-47-2, naphthalene-1-sulfonic acid, Naphthalene-1-sulphonic acid, naphthalenesulfonic acid, Naphthalenesulphonic acid, alpha-Naphthalenesulfonic acid, UNII-0SJH61WM2J, 0SJH61WM2J, .alpha.-Naphthalenesulfonic acid, CHEBI:30895, PSZYNBSKGUBXEH-UHFFFAOYSA-N, 25155-19-5, Naphthalenesulfonic acids, MFCD00003987, 1-Naphthalenesulfonicacid, Naphthalenesulfonic acid, di-C5-6-alkyl derivs., EINECS 201-610-1, EINECS 246-676-2, EINECS 270-177-9, naphtalenesulfonic acid, Naphthalenesulfonicacid, Di(C5-C6)alkylnaphthalenesulfonic acid, Naphthalenesulfonic acid (mixed isomers), naphthalene sulfonic acid, AC1L1NCY, AC1Q6WYZ, AC1Q7DLZ, 1-Naphthyl sulfonic acid, SCHEMBL4323, 68153-01-5, 68412-23-7, naphthalene-alpha-sulphonic acid, CHEMBL1160029, DTXSID7048033, CTK1A5224, PSZYNBSKGUBXEH-UHFFFAOYSA-, Naphthalene-1-Sulfonic Acid Anion, 1-Naphthalenesulfonic acid, >50%, KS-00000W3Q, ZINC1651920, AKOS009031607, MCULE-3229319496, NE10290, AC-18225, AJ-28807, AN-24091, DB-019281, FT-0631399, ST50825567, EN300-19780, C16201, I04-0128, W-109309, UNII-VZW67VII75 component PSZYNBSKGUBXEH-UHFFFAOYSA-N, InChI=1/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13), naphthalene-1-sulfonate, Naphthalene, sulfonated, naphthalen-1-sulfonsyre, UNII-VZW67VII75, a-naphthalene sulfonic acid, |A-naphthalenesulfonic acid, VZW67VII75, Naphthalene sulfonic acid (a), C10H8O3S, Naphthalene sulfonic acid (a-), CID6812, NAPHTHALENE, MONOSULFONATED, C10-H8-O3-S, EINECS 268-860-1, AR-1C4813, 76497-76-2,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.231g/mol
Monoisotopic Mass	208.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H290-H314-H318
Packing Group	Ⅱ
Precautionary statements	P280-P303+P361+P353-P304+P340-P305+P351+P338
Signal Words	danger
UN Code	UN 3261

Certificate of Analysis

Lot Number