4-Iodobenzamide - ≥97% , CAS No.3956-07-8

CAS: 3956-07-8 Cat. No.: I135499 Formula: C₇H₆INO Peso molecolare: 247.03 Numero EC: 803-739-4

QUALITÀ & PUREZZA ≥97%

Synonyms

DTXSID80192674 | NSC136972 | NSC-136972 | Z33546486 | Serine, D- | AKOS003634592 | Benzamide, 4-iodo- | 4-iodanylbenzamide | CHEBI:16176 | 4,5-Benzisoxazole | p-Iodobenzamide | 4-Iodobenzamide, 97% | BRN 2079969 | BP-11757 | Decanediguanidine dihydrochlor

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DTXSID80192674 | NSC136972 | NSC-136972 | Z33546486 | Serine, D- | AKOS003634592 | Benzamide, 4-iodo- | 4-iodanylbenzamide | CHEBI:16176 | 4,5-Benzisoxazole | p-Iodobenzamide | 4-Iodobenzamide, 97% | BRN 2079969 | BP-11757 | Decanediguanidine dihydrochlor

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504755190

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755190

Sorrisi canonici

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

IUPAC Name

4-iodobenzamide

InChIKey

XRNBLQCAFWFFPM-UHFFFAOYSA-N

INCHI

1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

Isomeri SMILES

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

WGK Germania

3

RTECS

CV5399875

Peso molecolare

247.03

Reaxy-Rn

2079969

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079969&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 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Iodobenzenes Aryl iodides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of 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

Proprietà chimiche e fisiche

• Sensibilità: light sensitive
• Punto di fusione (°C): 215-217 °C
• Peso molecolare: 247.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 246.949 Da
• Monoisotopic Mass: 246.949 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% 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 3956-07-8, the molecular formula is C7H6INO, and the molecular weight is 247.03 g/mol. InChIKey XRNBLQCAFWFFPM-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.