Iodomethyl Pivalate - ≥97%, stabilized with Copper chip , CAS No.53064-79-2

CAS: 53064-79-2 Cat. No.: I189154 Molecular Weight: 242.05 EC Number: 258-339-7

GRADE & PURITY ≥97%, stabilized with Copper chip

Synonyms

AKOS015892725 | 2,2-Dimethylpropionic Acid Iodomethyl Ester | 2,2-dimethyl-propionic acid iodomethyl ester | 2,2-dimethyl-propionic acid iodo-methyl ester | 2,2-dimethylpropionic acid, iodomethyl ester | EINECS 258-339-7 | I0912 | NCGC00091055-01 | AMY133

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS015892725 | 2, 2-Dimethylpropionic Acid Iodomethyl Ester | 2, 2-dimethyl-propionic acid iodomethyl ester | 2, 2-dimethyl-propionic acid iodo-methyl ester | 2, 2-dimethylpropionic acid, iodomethyl ester | EINECS 258-339-7 | I0912 | NCGC00091055-01 | AMY133

Specifications & Purity

≥97%, stabilized with Copper chip

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504756569
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756569
• Canonical Smiles: CC(C)(C)C(=O)OCI
• IUPAC Name: iodomethyl 2,2-dimethylpropanoate
• InChIKey: PELJISAVHGXLAL-UHFFFAOYSA-N
• INCHI: 1S/C6H11IO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3
• Isomeric SMILES: CC(C)(C)C(=O)OCI
• Molecular Weight: 242.05
• Reaxy-Rn: 2237410
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2237410&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming 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

Chemical and Physical Properties

• Sensitivity: Air & Light & Heat sensitive
• Refractive Index: 1.49
• Flash Point(°C): 73 °C
• Boil Point(°C): 66 °C
• Molecular Weight: 242.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.98 Da
• Monoisotopic Mass: 241.98 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 104.000
• 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