3-Iodopropionic Acid - ≥98%(GC) , CAS No.141-76-4

CAS: 141-76-4 Cat. No.: I157542 Fórmula: C₃H₅IO₂ Peso molecular: 199.98 Número CE: 205-499-0

GRADE & PURITY ≥98%(GC)

Synonyms

AI3-21060 | CZ2UC966BF | NSC2124 | NSC-2124 | UNII-CZ2UC966BF | Propanoic acid, iodo- | AKOS006223910 | SCHEMBL10598 | EINECS 205-499-0 | FS-5192 | MFCD00002765 | .beta.-Iodopropionic acid | 3-Iodopropionic acid, 95% | 3-IODOPROPIONICACID | beta -iodoprop

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AI3-21060 | CZ2UC966BF | NSC2124 | NSC-2124 | UNII-CZ2UC966BF | Propanoic acid, iodo- | AKOS006223910 | SCHEMBL10598 | EINECS 205-499-0 | FS-5192 | MFCD00002765 | .beta.-Iodopropionic acid | 3-Iodopropionic acid, 95% | 3-IODOPROPIONICACID | beta -iodoprop

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504751749

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751749

Sorrisos canónicos

C(CI)C(=O)O

IUPAC Name

3-iodopropanoic acid

InChIKey

KMRNTNDWADEIIX-UHFFFAOYSA-N

INCHI

1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

SMILES isoméricas

C(CI)C(=O)O

WGK Alemanha

3

RTECS

UF4900000

Número UN

3261

Grupo de embalagem

II

Peso molecular

199.98

Reaxy-Rn

1699514

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Ponto de fusão (°C): 82℃
• Peso molecular: 199.970 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 199.933 Da
• Monoisotopic Mass: 199.933 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 141-76-4, the molecular formula is C3H5IO2, and the molecular weight is 199.98 g/mol. InChIKey KMRNTNDWADEIIX-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.