4-iodoaniline

• ChemBase ID: 8573
• Molecular Formular: C6H6IN
• Molecular Mass: 219.02301
• Monoisotopic Mass: 218.9544972
• SMILES: Ic1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)I
• InChI: InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
• InChIKey: VLVCDUSVTXIWGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodoaniline
• IUPAC Traditional name: benzenamine, 4-iodo-
• Synonyms: p-IODOANILINE; 4-Iodoaniline; 4-Iodoaniline 98%; 4-Iodoaniline; 1-Iodo-4-aminobenzene; 4-Iodobenzenamine; 4-Iodobenzeneamine; 4-Iodophenylamine; NSC 9246; p-Aminoiodobenzene; p-Aminophenyl Iodide; p-Iodoaniline; 4-碘苯胺

Database IDs

• CAS Number: 540-37-4
• EC Number: 208-743-4
• MDL Number: MFCD00007848
• Beilstein Number: 774101
• Merck Index: 145027
• PubChem SID: 24880547; 160971880; 24847899
• PubChem CID: 10893

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0635219
• LogD (pH = 7.4): 2.0731404
• Log P: 2.0732644
• Molar Refractivity: 44.1209 cm^3
• Polarizability: 16.621946 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Dark Purple Solid
• Melting Point: 59-61°C; 61-63 °C; 61-63 °C(lit.); 61-63°C; 61-64°C; 63-65°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT, LIGHT SENSITIVE, TOXIC; Light Sensitive
• RTECS: BY3850000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38; R:22
• Safety Statements: 26; 26-36/37; S:36/37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 97%; 98%
• Grade: purum
• Linear Formula: IC6H4NH2

DETAILS

MP Biomedicals - 05202862

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 129364

Packaging
25, 100 g in glass bottle

Toronto Research Chemicals - I686800

4-Iodoaniline is a iodine substituted aniline that is widely used as chemical intermediates in the manufacturing of pesticides, dyes and drugs. 4-Iodoaniline was shown to be a more potent nephrotoxicant in vitro than other anilines.

REFERENCES

• Hong, S.K. et al.: Toxicol. Lett., 114, 125 (2000)
• Matrka, M. et al.: Ces.-Slov. Hyg., 23, 168 (1978):