AG003L6H

98-66-8 | Benzenesulfonic acid, 4-​chloro-

AG003L6H

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CAS Number	98-66-8
Catalog Number	AG003L6H(AGN-PC-0WAAAS)
Chemical Name	Benzenesulfonic acid, 4-​chloro-
EC Number	202-690-0
IUPAC Name	4-chlorobenzenesulfonic acid
InChI	InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChI Key	RJWBTWIBUIGANW-UHFFFAOYSA-N
MDL Number	MFCD00065342
Molecular Formula	C6H5ClO3S
Molecular Weight	192.6201
SMILES	S(=O)(=O)(O)c1ccc(cc1)Cl
UNII	5CN6B87IK2
Synonyms	4-CHLOROBENZENESULFONIC ACID, 98-66-8, p-Chlorobenzenesulfonic acid, 4-Chloro-benzenesulfonic acid, Benzenesulfonic acid, 4-chloro-, p-Chlorophenylsulfonic acid, UNII-5CN6B87IK2, 4-Chlorobenzenesulphonic acid, Benzenesulfonic acid, p-chloro-, EINECS 202-690-0, BRN 2209486, 4-chlorobenzene sulphonic acid, AI3-50012, 5CN6B87IK2, CHEMBL1224628, RJWBTWIBUIGANW-UHFFFAOYSA-N, 4-CHLOROBENZENE SULFONIC ACID, closylate, 4-Chlorobenzenesulfonicacid, p-chlorophenylsulfonicacid, AC1L1OOD, AC1Q6WPC, p-chloro-benzenesulfonicaci, 4-chloro-benzenesulfonicaci, DSSTox_CID_24473, DSSTox_RID_80255, DSSTox_GSID_44473, p-chlorobenzene sulfonic acid, SCHEMBL26836, 4-11-00-00107 (Beilstein Handbook Reference), 4-Chloro Benzene Sulfonic Acid, 4-chloro benzene sulphonic acid, DTXSID7044473, CTK3I9710, KS-00000VIH, Para-Chloro Benzene Sulphonic Acid, ZINC1700242, ZX-AT016144, Tox21_302072, ANW-49043, BBL034713, BDBM50325574, STL426755, AKOS002303176, FCH1117579, LS10688, MCULE-2119184702, MP-2163, RTR-030348, TRA0072761, CAS-98-66-8, NCGC00255723-01, AC-17054, AJ-30468, AK-53427, AM101771, BR-53427, CC-18858, LS-31809, NCI60_000700, AB1009816, AX8003377, DB-057739, ST2411355, TR-030348, FT-0631511, ST50327502, 16413-EP2275401A1, 16413-EP2281563A1, 16413-EP2289890A1, 16413-EP2305646A1, 16413-EP2316459A1, 29269-EP2311842A2, AS-871/43475655, C-08481, 4-Chlorobenzenesulfonic acid, technical grade, 90%, I01-2050, F3099-6892, InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10, null, 4-chlorbenzensulfonsyre, C6H5ClO3S, Benzenesulfonic acid, 4-chloro, C6-H5-Cl-O3-S, CID7400, AR-1G1777, c0606, benzene; hydrogen sulfite; hydrochloride, p-Chlorobenzenesulfonic acid sodium salt, 6279-06-7,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.965g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.613g/mol
Monoisotopic Mass	191.965g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
Signal Words	danger
UN Code	UN 3261

Certificate of Analysis

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