AG007WED

104-15-4 | 4-Methylbenzenesulfonic acid

AG007WED

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CAS Number	104-15-4
Catalog Number	AG007WED(AGN-PC-0046YX)
Chemical Name	4-Methylbenzenesulfonic acid
IUPAC Name	4-methylbenzenesulfonic acid
InChI	InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChI Key	JOXIMZWYDAKGHI-UHFFFAOYSA-N
MDL Number	MFCD00142137
Molecular Formula	C7H8O3S
Molecular Weight	172.2016
RTECS Number	XT6300000
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O
UNII	QGV5ZG5741
Synonyms	4-toluene sulfonate, 4-toluenesulfonic acid, 4-toluenesulfonic acid ammonium salt, 4-toluenesulfonic acid monohydrate, 4-toluenesulfonic acid, calcium salt, 4-toluenesulfonic acid, copper (2+) salt, 4-toluenesulfonic acid, ion (1+), 4-toluenesulfonic acid, lithium salt, 4-toluenesulfonic acid, magnesium salt, 4-toluenesulfonic acid, potassium salt, 4-toluenesulfonic acid, rubidium salt, 4-toluenesulfonic acid, silver (+1) salt, 4-toluenesulfonic acid, sodium salt, 4-toluenesulfonic acid, zinc salt, p-toluene sulfonate, p-toluene sulphonic acid, p-toluenesulfonate, p-toluenesulfonate pyridinium, p-toluenesulfonic acid, para-toluene sulfonate, para-toluenesulfonic acid, 4-Methylbenzenesulfonic acid, P-TOLUENESULFONIC ACID, 104-15-4, 4-Toluenesulfonic acid, p-Toluenesulphonic acid, Tosic acid, p-Tolylsulfonic acid, Toluene-4-sulfonic acid, Toluenesulfonic acid, Benzenesulfonic acid, 4-methyl-, p-Methylbenzenesulfonic acid, p-Toluenesulfonate, Eltesol, Tosylic acid, p-Methylphenylsulfonic acid, PTSA, Cyclophil P T S A, ar-Toluenesulfonic acid, p-Toluolenesulfonic acid, p-Toluene sulfonate, PARA-TOLUENE SULFONATE, Benzenesulfonic acid, methyl-, Methylbenzenesulfonic acid, Nacure 1040, P-Toluene Sulfonic acid, Cyzac 4040, Toluene-4-sulphonic acid, Kyselina p-toluenesulfonova, Manro PTSA 65 E, Manro PTSA 65 H, TSA-HP, TSA-MH, Manro PTSA 65 LS, Kyselina p-toluensulfonova, Toluene-p-sulfonate, K-Cure 1040, Toluenesulfonic acid (VAN), HSDB 2026, K-Cure 040, UNII-QGV5ZG5741, NSC 167068, 2(Or 4)-toluenesulphonic acid, 4-methylbenzene-1-sulfonic acid, Toluen-4-sulfonsaeure, toluene-p-sulfonic acid, p-Toluene-sulfonic acid, Kyselina p-toluensulfonova [Czech], p-toluene sulphonic acid, 4-Toluene sulfonic acid, para-toluenesulfonic acid, Kyselina p-toluenesulfonova [Czech], paratoluene sulphonic acid, EINECS 203-180-0, para toluene sulfonic acid, BRN 0472690, AI3-26478, CHEMBL541253, QGV5ZG5741, 4-TOLUENE-SULFONIC ACID, ar-Toluenesulfonic acid (8CI), CHEBI:27849, JOXIMZWYDAKGHI-UHFFFAOYSA-N, TsOH, WLN: WSQR D1, p-TSA, MFCD00064387, p-ToluenesulfonicAcidMonohydrate, TSU, p-Toluenesulfonic acid, pure, 12% in acetic acid, TosicAcid, 4-sulphotoluene, Cis-Tosylate, pTsOH, TosOH, Tosic acid p-TSA, p-toluenesulfonicacid, p-TsOH, Tos-OH, p-toluenesufonic acid, p-toluensulfonic acid, p-toluene sulfonicacid, p-toluene-sulfonicacid, p-toluensulphonic acid, paratoluensulfonic acid, Ts-OH, p-toluen sulfonic acid, p-toluenesuiphonic acid, PTS ACID, 4-toluenesulphonic acid, p -toluenesulfonic acid, p- toluenesulfonic acid, p-tolu-enesulfonic acid, p-toluyl sulphonic acid, PubChem16860, toluene p-sulfonic acid, para-toluensulfonic acid, rho-toluenesulfonic acid, paratoluenesulphonic acid, p-toluene-sulphonic acid, toluene 4-sulfonic acid, toluene p-sulphonic acid, toluene-p-sulphonic acid, para toluenesulfonic acid, paratoluene sulfonic acid, paratoluene-sulfonic acid, SCHEMBL34, 4-toluene sulphonic acid, 4-toluene-sulphonic acid, AC1Q2LRI, AC1Q2LRJ, rho-toluene sulfonic acid, para toluenesulphonic acid, para-toluenesulphonic acid, para-toluene sulfonic acid, para-toluene-sulfonic acid, 4methylbenzenesulfonic acid, DSSTox_CID_6701, 4-methylphenylsulfonic acid, para-toluene sulphonic acid, EC 203-180-0, 4-methylphenylsulphonic acid, AC1L1LT3, ACMC-1C4C9, DSSTox_RID_78188, NCIOpen2_002932, NCIOpen2_003096, 4-methylbenzenesulphonic acid, DSSTox_GSID_26701, 4-methyl-benzenesulfonic acid, 4-methylbenzene sulfonic acid, 4-methylbenzene-sulfonic acid, 4-11-00-00241 (Beilstein Handbook Reference), 70788-37-3, KSC174O1N, 4-methyl benzene sulfonic acid, 4-methyl-benzene sulphonic acid, 4-methyl-benzene-sulphonic acid, Jsp000415, Jsp003032, DTXSID0026701, CTK0H4716, KS-00000VJT, NSC2167, 4-Toluenesulfinic acid sodium salt, (2r,4s)-toluene-4-sulfonic acid, NSC-2167, ZINC6427042, Tox21_202364, AC-794, ANW-15037, BBL020095, BDBM50294029, MFCD02683442, NSC167068, P-Toluene Sulfonic acid(monohydrate), STL199173, p-Toluenesulfonic acid, polymer-bound, AKOS008966288, AM90497, CS-W019626, DB03120, MCULE-1176533515, NSC-167068, RP23449, RP23450, RTC-063995, NCGC00248146-01, NCGC00248146-02, NCGC00259913-01, AJ-26662, AN-15515, BC204518, CAS-104-15-4, SC-16073, TL806147, AB1002549, DB-050363, LS-154156, TC-063995, FT-0648905, ST50825009, X8700, EN300-16830, 6720-EP1441224A2, 6720-EP2269610A2, 6720-EP2269977A2, 6720-EP2269989A1, 6720-EP2269990A1, 6720-EP2269994A1, 6720-EP2270011A1, 6720-EP2270012A1, 6720-EP2270013A1, 6720-EP2270114A1, 6720-EP2270505A1, 6720-EP2272537A2, 6720-EP2272822A1, 6720-EP2272832A1, 6720-EP2274983A1, 6720-EP2275404A1, 6720-EP2275411A2, 6720-EP2275418A1, 6720-EP2277848A1, 6720-EP2277858A1, 6720-EP2277861A1, 6720-EP2277866A1, 6720-EP2277867A2, 6720-EP2277878A1, 6720-EP2277880A1, 6720-EP2280000A1, 6720-EP2280003A2, 6720-EP2280009A1, 6720-EP2281817A1, 6720-EP2281818A1, 6720-EP2281820A2, 6720-EP2284148A1, 6720-EP2284159A1, 6720-EP2286812A1, 6720-EP2287147A2, 6720-EP2287152A2, 6720-EP2287155A1, 6720-EP2287160A1, 6720-EP2287166A2, 6720-EP2289518A1, 6720-EP2289868A1, 6720-EP2289876A1, 6720-EP2289883A1, 6720-EP2289887A2, 6720-EP2289888A2, 6720-EP2289893A1, 6720-EP2289965A1, 6720-EP2292231A1, 6720-EP2292234A1, 6720-EP2292576A2, 6720-EP2292592A1, 6720-EP2292610A1, 6720-EP2292611A1, 6720-EP2292620A2, 6720-EP2292621A1, 6720-EP2295055A2, 6720-EP2295401A2, 6720-EP2295402A2, 6720-EP2295406A1, 6720-EP2295409A1, 6720-EP2295414A1, 6720-EP2295416A2, 6720-EP2295423A1, 6720-EP2298729A1, 6720-EP2298731A1, 6720-EP2298735A1, 6720-EP2298743A1, 6720-EP2298747A1, 6720-EP2298748A2, 6720-EP2298754A1, 6720-EP2298755A1, 6720-EP2298763A1, 6720-EP2298767A1, 6720-EP2298770A1, 6720-EP2298772A1, 6720-EP2298778A1, 6720-EP2301536A1, 6720-EP2301538A1, 6720-EP2301544A1, 6720-EP2301909A1, 6720-EP2301918A1, 6720-EP2301922A1, 6720-EP2301933A1, 6720-EP2301934A1, 6720-EP2305219A1, 6720-EP2305257A1, 6720-EP2305627A1, 6720-EP2305633A1, 6720-EP2305641A1, 6720-EP2305647A1, 6720-EP2305649A1, 6720-EP2305650A1, 6720-EP2305651A1, 6720-EP2305655A2, 6720-EP2305662A1, 6720-EP2305672A1, 6720-EP2305677A1, 6720-EP2305681A1, 6720-EP2305682A1, 6720-EP2305685A1, 6720-EP2305686A1, 6720-EP2308562A2, 6720-EP2308838A1, 6720-EP2308839A1, 6720-EP2308840A1, 6720-EP2308841A2, 6720-EP2308849A1, 6720-EP2308850A1, 6720-EP2308851A1, 6720-EP2308854A1, 6720-EP2308857A1, 6720-EP2308869A1, 6720-EP2308871A1, 6720-EP2308874A1, 6720-EP2308877A1, 6720-EP2308879A1, 6720-EP2311453A1, 6720-EP2311455A1, 6720-EP2311804A2, 6720-EP2311808A1, 6720-EP2311809A1, 6720-EP2311810A1, 6720-EP2311811A1, 6720-EP2311814A1, 6720-EP2311815A1, 6720-EP2311827A1, 6720-EP2311829A1, 6720-EP2311838A1, 6720-EP2311841A1, 6720-EP2311842A2, 6720-EP2314574A1, 6720-EP2314575A1, 6720-EP2314577A1, 6720-EP2314584A1, 6720-EP2314585A1, 6720-EP2314586A1, 6720-EP2314587A1, 6720-EP2314588A1, 6720-EP2314593A1, 6720-EP2316457A1, 6720-EP2316458A1, 6720-EP2316825A1, 6720-EP2316826A1, 6720-EP2316827A1, 6720-EP2316828A1, 6720-EP2316831A1, 6720-EP2316836A1, 6720-EP2371811A2, 6720-EP2374790A1, 6720-EP2374895A1, C06677, 16415-EP2270008A1, 16415-EP2275401A1, 16415-EP2281563A1, 16415-EP2289890A1, 16415-EP2292617A1, 16415-EP2305646A1, 16415-EP2305657A2, 16415-EP2316459A1, 18563-EP2269992A1, 18563-EP2270002A1, 18563-EP2272848A1, 18563-EP2292615A1, 18563-EP2295433A2, 18563-EP2298742A1, 18563-EP2298746A1, 18563-EP2305660A1, 18563-EP2314576A1, 18563-EP2371805A1, 18812-EP2284160A1, 18812-EP2314576A1, 23307-EP2281820A2, 23307-EP2287159A1, 23307-EP2295420A1, 23307-EP2298754A1, 23307-EP2308867A2, 23307-EP2308870A2, 23307-EP2314584A1, 40089-EP2275410A1, 40089-EP2277866A1, 40089-EP2284169A1, 40089-EP2287161A1, 40089-EP2287162A1, 40089-EP2295410A1, 40089-EP2301920A1, 40089-EP2301939A1, 40089-EP2305647A1, 40089-EP2308861A1, 40089-EP2308867A2, 40089-EP2308870A2, 40089-EP2311804A2, 40089-EP2311830A1, 40089-EP2371814A1, 40089-EP2377849A2, 40089-EP2380874A2, 48861-EP2279741A2, 48861-EP2284174A1, 48861-EP2289509A2, 48861-EP2295437A1, 48861-EP2298775A1, 48861-EP2308867A2, 48861-EP2308870A2, 48861-EP2311841A1, 48861-EP2374787A1, 91583-EP2305668A1, 91583-EP2371814A1, 112898-EP2269988A2, 112898-EP2275413A1, 112898-EP2287156A1, 112898-EP2295437A1, 112898-EP2298775A1, 273T276, AE-848/00887005, p-Toluenesulfonic acid, 12% in acetic acid, pure, SR-01000944854, I01-0454, J-001117, Q-200514, SR-01000944854-1, Toluene sulfonic acid (INCI) 4-Toluenesulfonic acid, F1908-0079, p-Toluenesulfonic acid, polymer-supported, 1.0-2.0 mmol/g on polystyrene, InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10, 536747-74-7, tosylate, null, Toluene sulfonic acid, Toluene-4-sulfonate, Toluenesulphonic acid, Toluene sulfonic acids, 4-CHLOROPHENOL, 2 -toluenesulphonicacid, 4-methylbenzenesulfonicacid, TAP (CHRIS Code), C7H8O3S, para toluene sulphonic acid, Toluene- 4- sulphonic acid, Acide tolunesulfonique (para-), 2-(or 4)-Toluenesulphonic acid, CID6101, C7-H8-O3-S, Aminomalononitrile p-toluenesulfonate, EINECS 274-893-2, NA2583, NA2584, NA2585, UN2583, UN2584, UN2585, Benzenesulfonic acid, 2(or 4)-methyl-, H2380, T0267, p-Toluenesulfonic acid, 12 wt.% solution in acetic acid - 1KG 1kg, 25231-46-3, 6192-52-5, 106-48-9, 4846-75-7, 657-84-1, 862273-27-6, PTS,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.198g/mol
Monoisotopic Mass	172.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H290-H314-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 2585

Certificate of Analysis

Lot Number