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1,3-Propanesultone solution - 1 M in THF, high purity , CAS No.1120-71-4

221 Citations

COA

Grade & Purity:

1 M in THF

Cas Number: 1120-71-4
Molecular Weight: 122.14
Beilstein Registry Number: 109782
EC Number: 214-317-9
PubChem CID: 14264

In stock

Item Number

P431494

Grouped product items
SKU	Size	Availability	Price	Qty
P431494-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$306.90
P431494-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,034.90

Basic Description

Synonyms	1,3-Propanesultone, 98% \| GS-6714 \| 3-Hydroxy-1-propanesulfonic acid, sultone \| [1,2]oxathiolane 2,2-dioxide \| 1,3-TRIMETHYLENE SULTONE \| 3-Hydroxy-1-propanesulfonic acid gamma-sultone \| 3-HYDROXY-1-PROPANESULFONIC ACID SULTONE \| 3-HYDROXYPROPANESULFONIC
Specifications & Purity	1 M in THF
Product Description	Application Valuable building block or solvent offered as a solution in tetrahydrofuran for more convenient handling. 1,3.Flammable liquid-Propanesultone has been used in: preparation of poly[2-ethynyl- N -(propylsulfonate)pyridinium betaine], a new ionic conjugated polymer preparation of novel poly(4-vinylpyridine) supported acidic ionic liquid catalyst preparation of poly((2-(dimethylamino)ethyl methacrylate)-co-3.Flammable liquid-dimethyl(methacryloyloxyethyl)ammonium propanesulfonate)-coated mesoporous silica nanoparticles sulfonation of surface of self-assembled nanoporous silica colloidal crystalline films comprised of 184nm-diameter silica spheres

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxathiolanes
    - Subclass Gamma sultones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxathiolanes
Subclass	Gamma sultones
Intermediate Tree Nodes	Not available
Direct Parent	Gamma sultones
Alternative Parents	Sulfonic acid esters Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Gamma-sultone - Organosulfonic acid ester - Sulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma sultones. These are organic compounds containing a gamma-sultone, a Intramolecular cyclic ester of hydroxy sulfonic acid, with a SO ring bond, and three ring carbon atoms.
External Descriptors	sultone
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	oxathiolane 2,2-dioxide
INCHI	InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2
InChIKey	FSSPGSAQUIYDCN-UHFFFAOYSA-N
Smiles	C1COS(=O)(=O)C1
Isomeric SMILES	C1COS(=O)(=O)C1
WGK Germany	3
RTECS	RP5425000
UN Number	2810
Packing Group	I
Molecular Weight	122.14
Beilstein	109782
Reaxy-Rn	109782
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109782&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Freezing Point(°C)	32 °C
Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Boil Point(°C)	180 °C/30 mmHg
Melt Point(°C)	32°C
Molecular Weight	122.150 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	122.004 Da
Monoisotopic Mass	122.004 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	140.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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