dimethyl iodoterephthalate - ≥97% , CAS No.1829-22-7

CAS: 1829-22-7 Cat. No.: D305245 Summenformel: C₈H₅IO₄ Molekulargewicht: 292.03 EG-Nummer: 972-271-1

QUALITÄT & REINHEIT ≥97%

Synonyms

AKOS017547847 | 2-iodoterephthalic Acid | 2-IODOBENZENE-1,4-DICARBOXYLIC ACID | AS-33234 | MFCD00962043 | BAA82922 | FT-0707021 | 2-iodoterephthalicacid | SCHEMBL6645457 | 1,4-Benzenedicarboxylic acid, 2-iodo- | DTXSID20395526 | YSWG566

Storage

Room temperature,Desiccated

Shipped In

Normal

Spezifikationen

Synonyme

AKOS017547847 | 2-iodoterephthalic Acid | 2-IODOBENZENE-1,4-DICARBOXYLIC ACID | AS-33234 | MFCD00962043 | BAA82922 | FT-0707021 | 2-iodoterephthalicacid | SCHEMBL6645457 | 1,4-Benzenedicarboxylic acid, 2-iodo- | DTXSID20395526 | YSWG566

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194530

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194530

Kanonisches Lächeln

C1=CC(=C(C=C1C(=O)O)I)C(=O)O

IUPAC Name

2-iodoterephthalic acid

InChIKey

LUZKKRPROWYBLR-UHFFFAOYSA-N

INCHI

1S/C8H5IO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

Isomere SMILES

C1=CC(=C(C=C1C(=O)O)I)C(=O)O

Molekulargewicht

292.03

Reaxy-Rn

2579613

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2579613&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Phthalic acid and derivatives
          • Ebene6 P-phthalic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives
• Direct Parent: P-phthalic acid and derivatives
• Alternative Parents: Halobenzoic acids 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Vinylogous halides Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para_phthalic_acid - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
• 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

• Flammpunkt (°C): 219°C
• Siedepunkt (°C): 438.5°C
• Molekulargewicht: 292.030 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 291.923 Da
• Monoisotopic Mass: 291.923 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 228.000
• 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