HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Iodphenol
P-IODOPHENOL · 4-lodophenoI · p-Jodphenol · p-iodo-pheno · 4-IODOPHENOL · 4-iodo-pheno · 4-Iodophenol99% · Phenol, p-iodo-
Identifikatoren & physikalische Daten
| CAS No. | 540-38-5 |
|---|---|
| Summenformel | C6H5IO |
| Durchschnittliche Molmasse | 220,01 g/mol |
| Monoisotopische Masse | 219,93851278 g/mol |
| SMILES | Oc1ccc(I)cc1 |
| InChIKey | VSMDINRNYYEDRN-UHFFFAOYSA-N |
| PubChem CID | 10894 |
| ChEMBL | CHEMBL56475 |
| ChEBI | CHEBI:43521 |
| EC No. | 208-745-5 |
| DTXSID | DTXSID4052186 |
| Lokaler Name | 4-Iodphenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| Stoffklassen | Other Classes -> Phenols |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dampfdruck | 0.00616 [mmHg] |
| Physical Description | White or reddish solid[Merck Index] Light beige crystalline solid[Alfa Aesar MSDS] |
| Collision Cross Section | 124.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4052186] |
| Schmelzpunkt | 92-94 °C(lit.) |
| Siedepunkt | 138 °C5 mm Hg(lit.) |
| Dichte | 1.8573 |
| Flammpunkt | 138°C/5mm |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)slightly soluble |
| Aggregatzustand | Crystals or Crystalline Powder |
| pKa (Säurekonstante) | 9.33(at 25℃) |
| Farbe | Pink or beige to brown |
| Merck | 14,5036 |
| BRN | 1904544 |
| Henry-Konstante | 4.6×101 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| InChIKey | VSMDINRNYYEDRN-UHFFFAOYSA-N |
| SMILES | Oc1ccc(I)cc1 |
| CAS Datenbank | 540-38-5(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 4-iodo-(540-38-5) |
| EPA chemische Informationen | p-Iodophenol (540-38-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Phenol. See 4-Fluorophenol. |
| Hazard Classes and Categories | Acute Tox. 4 (87.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 3 |
| Zollcode | 29081900 |
| RTECS-Nr. | SL5600000 |
| R-Sätze (R) | 21/22-34-36/37/38-20/21/22 |
| Gefahrensymbole | C,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-22 |
| Gefahrenklasse | IRRITANT, LACHRYMATORAcute Tox. 4 OralSkin Corr. 1B |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Iodophenol is used in chemiluminescence imaging assays and experiments, as diagnostic agents in order to detect cancer cells in patients. It is also utilized in synthesizing agonists for the estrogen β receptor. Additionally, The compound finds extensive applications in various medical industries as well as in human and animal nutrition products such as pharmaceutical intermediates, and polarizing films for Liquid Crystal Display (LCD) chemicals.
Herstellung & Synthese
synthetische
It is obtained from 4-Aminophenol by diazotisation and substitution.