AG003O10

98-11-3 | Benzenesulfonic acid

AG003O10

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CAS Number	98-11-3
Catalog Number	AG003O10(AGN-PC-0WACHR)
Chemical Name	Benzenesulfonic acid
EC Number	202-638-7
IUPAC Name	benzenesulfonic acid
InChI	InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChI Key	SRSXLGNVWSONIS-UHFFFAOYSA-N
MDL Number	MFCD00011689
Molecular Formula	C6H6O3S
Molecular Weight	158.1750
RTECS Number	DB4200000
SMILES	O=S(=O)(O)c1ccccc1
UNII	685928Z18A
Synonyms	benzenesulfonate, benzenesulfonic acid, benzenesulfonic acid hexahydrate, zinc salt,, benzenesulfonic acid, ammonium salt, benzenesulfonic acid, calcium salt, benzenesulfonic acid, iron (+3) salt, benzenesulfonic acid, magnesium salt, benzenesulfonic acid, potassium salt, benzenesulfonic acid, sodium salt, benzenesulfonic acid, zinc salt, sodium benzenesulfonate, sodium benzenesulphonate, BENZENESULFONIC ACID, 98-11-3, Benzenesulphonic acid, Phenylsulfonic acid, Besylic acid, Benzene sulphonic acid, Benzenemonosulfonic acid, Benzene sulfonic acid, Kyselina benzensulfonova, benzensulfonic acid, CCRIS 4595, Kyselina benzensulfonova [Czech], HSDB 2642, UNII-685928Z18A, EINECS 202-638-7, MFCD00011689, BRN 0742513, AI3-15297, CHEBI:64455, SRSXLGNVWSONIS-UHFFFAOYSA-N, 17-120A, 685928Z18A, DSSTox_CID_4568, DSSTox_RID_77453, DSSTox_GSID_24568, Benzenesulfonic acid, 90%, technical, CAS-98-11-3, Blu-gard snitizing teat dip, Blu-shield (teat dip) solution, benzenesulphonicacid, benzolsulfonsäure, Ph-SO3H, Benzenesulfonicacidhydrate, AC1L1OLY, AC1Q1HHT, EC 202-638-7, SCHEMBL2509, C6H6SO3, 4-11-00-00027 (Beilstein Handbook Reference), KSC291G0H, MP Benzenesulfonic acid resin, CHEMBL1422641, DTXSID9024568, Phenylsulfonic Acid, Besylic Acid, CS-D1398, KS-00000WE6, STR07703, ZINC1555312, Benzenesulfonic acid, 98.0% (T), Tox21_201960, Tox21_303131, 7662AF, ANW-43958, STL280343, AKOS015856636, LS-2039, LS10672, MCULE-3169739755, RP22177, RTX-012249, TRA0047323, ScavengePore™ benzenesulfonic acid, NCGC00091687-01, NCGC00091687-02, NCGC00256989-01, NCGC00259509-01, AJ-26912, AN-23505, AN-24478, SC-18047, Benzenesulfonic acid, technical grade, 90%, B0030, B3408, FT-0622648, Benzenesulfonic acid, technical, >=90% (T), 11030-EP2269610A2, 11030-EP2269986A1, 11030-EP2269988A2, 11030-EP2269989A1, 11030-EP2269990A1, 11030-EP2270008A1, 11030-EP2270505A1, 11030-EP2272537A2, 11030-EP2272822A1, 11030-EP2275401A1, 11030-EP2275411A2, 11030-EP2275413A1, 11030-EP2275418A1, 11030-EP2275424A1, 11030-EP2277848A1, 11030-EP2277858A1, 11030-EP2280009A1, 11030-EP2280012A2, 11030-EP2281563A1, 11030-EP2281817A1, 11030-EP2281819A1, 11030-EP2281823A2, 11030-EP2284174A1, 11030-EP2287147A2, 11030-EP2287152A2, 11030-EP2287153A1, 11030-EP2287155A1, 11030-EP2287156A1, 11030-EP2287160A1, 11030-EP2289510A1, 11030-EP2289518A1, 11030-EP2289890A1, 11030-EP2289894A2, 11030-EP2292231A1, 11030-EP2292234A1, 11030-EP2292611A1, 11030-EP2292617A1, 11030-EP2292619A1, 11030-EP2295406A1, 11030-EP2295416A2, 11030-EP2298731A1, 11030-EP2298742A1, 11030-EP2298747A1, 11030-EP2298748A2, 11030-EP2298755A1, 11030-EP2298763A1, 11030-EP2298768A1, 11030-EP2298772A1, 11030-EP2301544A1, 11030-EP2301918A1, 11030-EP2305219A1, 11030-EP2305633A1, 11030-EP2305641A1, 11030-EP2305646A1, 11030-EP2305647A1, 11030-EP2305649A1, 11030-EP2305651A1, 11030-EP2305659A1, 11030-EP2305672A1, 11030-EP2305673A1, 11030-EP2305685A1, 11030-EP2305686A1, 11030-EP2308839A1, 11030-EP2308854A1, 11030-EP2308857A1, 11030-EP2308869A1, 11030-EP2311801A1, 11030-EP2311802A1, 11030-EP2311803A1, 11030-EP2311804A2, 11030-EP2311807A1, 11030-EP2311809A1, 11030-EP2311810A1, 11030-EP2311818A1, 11030-EP2311842A2, 11030-EP2314575A1, 11030-EP2316457A1, 11030-EP2316458A1, 11030-EP2316459A1, 11030-EP2316825A1, 11030-EP2316826A1, 11030-EP2316827A1, 11030-EP2316828A1, 11030-EP2316831A1, 11030-EP2371814A1, 74485-EP2284160A1, 74485-EP2305647A1, 74485-EP2308857A1, 74485-EP2377847A1, 98736-EP2270002A1, 98736-EP2295433A2, 98736-EP2301928A1, 98736-EP2301940A1, SR-01000944759, I01-0433, J-519685, SR-01000944759-1, InChI=1/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9, Benzenesulfonic acid, PharmaGrade, manufactured under appropriate GMP controls for pharma or biopharmaceutical production, benzensulfonsyre-, Phenylsulfonicacid, Benzenesulfonic-acid-, Sodium benzenesulfonate, C6H6O3S, CID7371, Benzenesulfonic acid, 95% 100g, C6-H6-O3-S, ACN-S005474, AR-1H8822, NA8027, Benzenesulphonic acid in aqueous solution, 515-42-4, 2047-07-6, 26158-00-9,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.171g/mol
Monoisotopic Mass	158.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H290-H314
Packing Group	Ⅱ
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
UN Code	UN 2583

Certificate of Analysis

Lot Number