4-Iodoaniline - ≥98% , CAS No.540-37-4

CAS: 540-37-4 Cat. No.: I107029 Molecular Weight: 219.02 Beilstein Registry Number: 774101 EC Number: 208-743-4

GRADE & PURITY ≥98%

Synonyms

p-Aminophenyl iodide | 4-iodophenylamine | 4-Iodo-phenylamine | para-amino-iodo-benzene | 4-Iodobenzenamine | 4-iodo-benzenamine | Aniline, p-iodo- | Benzenamine, 4-iodo- | CCRIS 9122 | 0BMK56397B | NSC9246 | NSC-9246 | p-Iodoaniline | p-iodo-aniline | 4-

Storage

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

Shipped In

Wet ice

Overview

4-Iodoaniline is the most potent methaemoglobin former.

Specifications

Synonyms

p-Aminophenyl iodide | 4-iodophenylamine | 4-Iodo-phenylamine | para-amino-iodo-benzene | 4-Iodobenzenamine | 4-iodo-benzenamine | Aniline, p-iodo- | Benzenamine, 4-iodo- | CCRIS 9122 | 0BMK56397B | NSC9246 | NSC-9246 | p-Iodoaniline | p-iodo-aniline | 4-

Specifications & Purity

≥98%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752022
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752022
• Canonical Smiles: C1=CC(=CC=C1N)I
• IUPAC Name: 4-iodoaniline
• InChIKey: VLVCDUSVTXIWGW-UHFFFAOYSA-N
• INCHI: 1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
• Isomeric SMILES: C1=CC(=CC=C1N)I
• WGK Germany: 3
• RTECS: BY3850000
• Molecular Weight: 219.02
• Beilstein: 774101
• Reaxy-Rn: 774101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Iodobenzenes Aryl iodides Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water.Soluble in chloroform, methanol,diethyl ether,alcohol
• Sensitivity: Light and air sensitive
• Melt Point(°C): 61-63°C
• Molecular Weight: 219.020 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.954 Da
• Monoisotopic Mass: 218.954 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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

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