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

CAS: 1798-06-7 Cat. No.: I132292 Formule: C₈H₇IO₂ Poids moléculaire: 262.05 Beilstein Registry Number: 1940558 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488187934

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187934

Sourires canoniques

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)

Isomères SMILES

C1=CC(=CC=C1CC(=O)O)I

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Point de fusion (°C): 136-140℃
• Poids moléculaire: 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