AG003FX7

38484-94-5 | 2,5-Dichlorobenzenesulfonic acid dihydrate

AG003FX7

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CAS Number	38484-94-5
Catalog Number	AG003FX7(AGN-PC-035ZXK)
Chemical Name	2,5-Dichlorobenzenesulfonic acid dihydrate
IUPAC Name	2,5-dichlorobenzenesulfonic acid;dihydrate
InChI	InChI=1S/C6H4Cl2O3S.2H2O/c7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1-3H,(H,9,10,11);2*1H2
InChI Key	VPJICTWHRNQYRG-UHFFFAOYSA-N
MDL Number	MFCD00035751
Molecular Formula	C6H8Cl2O5S
Molecular Weight	263.0957
SMILES	O=S(C1=CC(Cl)=CC=C1Cl)(O)=O.[H]O[H].[H]O[H]
Synonyms	2,5-Dichlorobenzenesulfonic Acid Dihydrate, 38484-94-5, MFCD08271971, ACMC-209qt1, SCHEMBL4158597, CTK4I0043, DTXSID40610864, ANW-39011, AKOS027320274, ACM38484945, AK306547, DS-12265, TC-127756, 2,5-Dichlorobenzene-1-sulfonic acid--water (1/2), I14-94048, 88-42-6,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.947g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	263.085g/mol
Monoisotopic Mass	261.947g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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