3-Iodopropionic Acid - ≥95% , CAS No.141-76-4

CAS: 141-76-4 Cat. No.: I708322 Formule: C₃H₅IO₂ Poids moléculaire: 199.98 Numéro CE: 205-499-0

GRADE & PURITY ≥95%

Synonyms

3-Iodopropionic Acid

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonymes

3-Iodopropionic Acid

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528759170

Sourires canoniques

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)

Isomères SMILES

C(CI)C(=O)O

WGK Allemagne

3

RTECS

UF4900000

Numéro ONU

3261

Groupe d'emballage

II

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Point de fusion (°C): 82℃
• Poids moléculaire: 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