acide 5-chloro-2-iodobenzoïque - ≥98% , CAS No.13421-00-6

CAS: 13421-00-6 Cat. No.: C190616 Formule: C₇H₄ClIO₂ Poids moléculaire: 282.47 Numéro CE: 675-670-6

GRADE & PURITY ≥98%

Synonyms

MFCD00079733 | AE-641/30105033 | AM20020411 | Acide 5-chloro-2-iodobenzoïque | BB 0245932 | FT-0620256 | Acide 2-Iodo-5-chlorobenzoïque | Acide 5-chloro-2-iodo benzoïque | DTXSID60158596 | J-006499 | J-517313 | NCGC00338301-01 | Acide 5-chloro-2-iodo benz

Storage

Température ambiante

Shipped In

Normal

Specifications

Synonymes

MFCD00079733 | AE-641/30105033 | AM20020411 | Acide 5-chloro-2-iodobenzoïque | BB 0245932 | FT-0620256 | Acide 2-Iodo-5-chlorobenzoïque | Acide 5-chloro-2-iodo benzoïque | DTXSID60158596 | J-006499 | J-517313 | NCGC00338301-01 | Acide 5-chloro-2-iodo benz

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488188031
• Sourires canoniques: C1=CC(=C(C=C1Cl)C(=O)O)I
• IUPAC Name: 5-chloro-2-iodobenzoic acid
• InChIKey: NRPQWTVTBCRPEL-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
• Isomères SMILES: C1=CC(=C(C=C1Cl)C(=O)O)I
• Poids moléculaire: 282.47
• Reaxy-Rn: 2254096
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2254096&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 2-halobenzoic acids 3-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Iodobenzenes Chlorobenzenes Aryl chlorides Aryl iodides Vinylogous halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
• 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

• Poids moléculaire: 282.460 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 281.894 Da
• Monoisotopic Mass: 281.894 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 13421-00-6, the molecular formula is C7H4ClIO2, and the molecular weight is 282.47 g/mol. InChIKey NRPQWTVTBCRPEL-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.