4-Iodo-3-methylaniline - ≥97% , CAS No.4949-69-3

CAS: 4949-69-3 Cat. No.: I590928 Summenformel: C₇H₈IN Molekulargewicht: 233.05 EG-Nummer: 687-753-4

GRADE & PURITY ≥97%

Synonyms

FT-0739737 | EN300-18659 | AKOS016000510 | DTXSID40370193 | D70695 | UISBOJCPTKUBIC-UHFFFAOYSA-N | 4-Iodo-3-methylaniline | SCHEMBL789513 | SY128823 | AS-57690 | MFCD01569451 | A871796 | 2-iodo 5-aminotoluene | 4-iodo-3-methyl aniline | 3-Methyl-4-iodoani

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

FT-0739737 | EN300-18659 | AKOS016000510 | DTXSID40370193 | D70695 | UISBOJCPTKUBIC-UHFFFAOYSA-N | 4-Iodo-3-methylaniline | SCHEMBL789513 | SY128823 | AS-57690 | MFCD01569451 | A871796 | 2-iodo 5-aminotoluene | 4-iodo-3-methyl aniline | 3-Methyl-4-iodoani

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 508809713
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809713
• Kanonisches Lächeln: CC1=C(C=CC(=C1)N)I
• IUPAC Name: 4-iodo-3-methylaniline
• InChIKey: UISBOJCPTKUBIC-UHFFFAOYSA-N
• INCHI: 1S/C7H8IN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
• Isomere SMILES: CC1=C(C=CC(=C1)N)I
• Molekulargewicht: 233.05
• Reaxy-Rn: 2637597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2637597&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Iodobenzenes Aryl iodides Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• 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

• Molekulargewicht: 233.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 232.97 Da
• Monoisotopic Mass: 232.97 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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