4-(Chlorosulfonyl)phenyl pivalate - ≥95% , CAS No.150374-99-5

CAS: 150374-99-5 Cat. No.: C191066 Summenformel: C₁₁H₁₃ClO₄S Molekulargewicht: 276.74

GRADE & PURITY ≥95%

Synonyms

4-(Chlorosufonyl)phenylplvalate | (4-chlorosulfonylphenyl) 2,2-dimethylpropanoate | DTXSID00451851 | Propanoic acid,2,2-dimethyl-,4-(chlorosulfonyl)phenyl ester | 4-(Chlorosulfonyl)phenylpivalate | BSRSTUAZWZWGRT-UHFFFAOYSA-N | Propanoic acid, 2,2-dimethy

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

4-(Chlorosufonyl)phenylplvalate | (4-chlorosulfonylphenyl) 2,2-dimethylpropanoate | DTXSID00451851 | Propanoic acid,2,2-dimethyl-,4-(chlorosulfonyl)phenyl ester | 4-(Chlorosulfonyl)phenylpivalate | BSRSTUAZWZWGRT-UHFFFAOYSA-N | Propanoic acid, 2,2-dimethy

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)Cl

IUPAC Name

(4-chlorosulfonylphenyl) 2,2-dimethylpropanoate

InChIKey

BSRSTUAZWZWGRT-UHFFFAOYSA-N

INCHI

1S/C11H13ClO4S/c1-11(2,3)10(13)16-8-4-6-9(7-5-8)17(12,14)15/h4-7H,1-3H3

Isomere SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)Cl

Molekulargewicht

276.74

Reaxy-Rn

7643607

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7643607&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Benzenesulfonyl chlorides Phenoxy compounds Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Benzenesulfonyl chloride - Benzenesulfonyl group - Phenoxy compound - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 276.740 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 276.022 Da
• Monoisotopic Mass: 276.022 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 369.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 150374-99-5, the molecular formula is C11H13ClO4S, and the molecular weight is 276.74 g/mol. InChIKey BSRSTUAZWZWGRT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.