4-Iodophenylacetic acid - ≥97% , CAS No.1798-06-7

CAS: 1798-06-7 Cat. No.: I132292 Summenformel: C₈H₇IO₂ Molekulargewicht: 262.05 Beilstein Registry Number: 1940558 EG-Nummer: 681-569-8

GRADE & PURITY ≥97%

Synonyms

4-iodophenylacetic acid, AldrichCPR | 2-(4-iodophenyl)acetic acid | 3-amino-6-sulfo-8-naphthol | NSC4614 | NSC-4614 | F0001-0652 | 4-iodo phenyl acetic acid | J-515575 | NSC 4614 | AKOS005256231 | 4-Iodophenylacetic acid | Benzeneacetic acid, 4-iodo- | UN

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

4-iodophenylacetic acid, AldrichCPR | 2-(4-iodophenyl)acetic acid | 3-amino-6-sulfo-8-naphthol | NSC4614 | NSC-4614 | F0001-0652 | 4-iodo phenyl acetic acid | J-515575 | NSC 4614 | AKOS005256231 | 4-Iodophenylacetic acid | Benzeneacetic acid, 4-iodo- | UN

Spezifikationen & Reinheit

≥97%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488187934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187934
• Kanonisches Lächeln: C1=CC(=CC=C1CC(=O)O)I
• IUPAC Name: 2-(4-iodophenyl)acetic acid
• InChIKey: FJSHTWVDFAUNCO-UHFFFAOYSA-N
• INCHI: 1S/C8H7IO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
• Isomere SMILES: C1=CC(=CC=C1CC(=O)O)I
• Molekulargewicht: 262.05
• Beilstein: 1940558
• Reaxy-Rn: 1940558
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Aryl iodides Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Aryl iodide - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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

• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 136-140℃
• Molekulargewicht: 262.040 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 261.949 Da
• Monoisotopic Mass: 261.949 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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