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Benzenesulfonic Acid Monohydrate

CAT: 0203-04104-72Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0203-04104-72Size:25 g
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CAS Number
26158-00-9
UN Code
2585
Purity
≧ 98.0% (T)
Storage Conditions
A (Cool & dark)
Grade
EP (Extra Pure Reagent)

Chemical Information

Hydroxybenzenesulfonic acid

Phenolsulfonic acid, liquid appears as a yellowish liquid that becomes brown on exposure to air. Soluble in alcohol. Irritating to mucous membranes, skin, and eyes. Moderately toxic by ingestion. Used as a laboratory reagent, in water analysis and in the manufacture of pharmaceuticals. A mixture of ortho and para isomers.

CAS Number26158-00-9
PubChem CID15619088
IUPAC Namebenzenesulfonic acid;hydrate
Molecular FormulaC6H8O4S
Molecular Weight176.19
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity184
SMILES
C1=CC=C(C=C1)S(=O)(=O)O.O
InChI
InChI=1S/C6H6O3S.H2O/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H2
InChIKey
MVIOINXPSFUJEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxybenzenesulfonic acid
CAS: 26158-00-9
CID: 15619088
Formula: C6H8O4S
MW: 176.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.19
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass176.01432991
Monoisotopic Mass176.01432991
Topological Polar Surface Area63.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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