The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride - 98%, high purity , CAS No.118943-25-2
Basic Description
Synonyms
1-Propanesulfonylchloride,3-(4-methoxyphenoxy)- | F9995-2230 | AKOS005259863 | 1-Propanesulfonyl chloride, 3-(4-methoxyphenoxy)- | 3-(4-Methoxyphenoxy)-1-propanesulfonyl chloride, 98% | SCHEMBL737130 | EN300-66961 | DTXSID60408720 | MFCD04039947 | 3-(4-me
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Ether - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
3-(4-methoxyphenoxy)propane-1-sulfonyl chloride
INCHI
InChI=1S/C10H13ClO4S/c1-14-9-3-5-10(6-4-9)15-7-2-8-16(11,12)13/h3-6H,2,7-8H2,1H3
InChIKey
UFZBQBXKJZWBBV-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)OCCCS(=O)(=O)Cl
Isomeric SMILES
COC1=CC=C(C=C1)OCCCS(=O)(=O)Cl
Molecular Weight
264.73
Reaxy-Rn
11033505
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11033505&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
45-46.7 °C
Molecular Weight
264.730 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
264.022 Da
Monoisotopic Mass
264.022 Da
Topological Polar Surface Area
61.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
278.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
