4-IOD-4'-NITROBIPHENYL - ≥98% , CAS No.29170-08-9

CAS: 29170-08-9 Cat. No.: I100760 Summenformel: C₁₂H₈INO₂ Molekulargewicht: 325.11 EG-Nummer: 249-480-5

GRADE & PURITY ≥98%

Synonyms

BIM-0014002.P001 | NCGC00016015-03 | I0537 | 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl- | C12H8INO2 | MFCD00024698 | AMY37805 | CCG-45031 | AKOS003595901 | SCHEMBL1361170 | Maybridge1_004064 | 4-Iodo-4 inverted e

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BIM-0014002.P001 | NCGC00016015-03 | I0537 | 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl- | C12H8INO2 | MFCD00024698 | AMY37805 | CCG-45031 | AKOS003595901 | SCHEMBL1361170 | Maybridge1_004064 | 4-Iodo-4 inverted e

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488187633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187633

Kanonisches Lächeln

C1=CC(=CC=C1C2=CC=C(C=C2)I)[N+](=O)[O-]

IUPAC Name

1-(4-iodophenyl)-4-nitrobenzene

InChIKey

YEDVRRNLTGKJSW-UHFFFAOYSA-N

INCHI

1S/C12H8INO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H

Isomere SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)I)[N+](=O)[O-]

Molekulargewicht

325.11

Reaxy-Rn

2051254

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051254&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Iodobenzenes Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Nitrobenzene - Nitroaromatic compound - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Löslichkeit: Insoluble in water; Slightly soluble in Dimethylformamide
• Schmelzpunkt (°C): 216°C
• Molekulargewicht: 325.100 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 324.96 Da
• Monoisotopic Mass: 324.96 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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

Häufig gestellte Fragen

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 29170-08-9, the molecular formula is C12H8INO2, and the molecular weight is 325.11 g/mol. InChIKey YEDVRRNLTGKJSW-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.