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2-Iodphenol
O-IODOPHENOL · ORTHO-IODOPHENOL · DK807 · NSC 9245 · o-Jodfenol · 2-Jodfenol · 2-iodo-pheno · 2-IODOPHENOL
Identifikatoren & physikalische Daten
| CAS No. | 30587-23-6 |
|---|---|
| Summenformel | C6H5IO |
| Durchschnittliche Molmasse | 220,01 g/mol |
| Monoisotopische Masse | 219,93851278 g/mol |
| SMILES | Oc1ccccc1I |
| InChIKey | KQDJTBPASNJQFQ-UHFFFAOYSA-N |
| PubChem CID | 10784 |
| ChEMBL | CHEMBL225564 |
| ChEBI | CHEBI:16706 |
| EC No. | 208-569-9 |
| DTXSID | DTXSID5052175 |
| Lokaler Name | 2-Iodphenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Stoffklassen | Other Classes -> Phenols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dampfdruck | 0.00616 [mmHg] |
| Physical Description | Solid[Merck Index] Pink or yellow crystalline powder[Acros Organics MSDS] |
| Collision Cross Section | 121.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5052175] |
| Schmelzpunkt | 37-40 °C (lit.) |
| Siedepunkt | 186-187 °C/160 mmHg (lit.) |
| Dichte | 1.947 g/mL at 25 °C (lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)slightly soluble |
| Aggregatzustand | Crystalline Powder or Crystalline Low Melting Mass |
| pKa (Säurekonstante) | 8.51(at 25℃) |
| Farbe | White or cream to brown |
| Wichte | 1.947 |
| Merck | 14,5035 |
| BRN | 1855300 |
| Henry-Konstante | 1.4×101 mol/(m3Pa) at 25℃, Abraham et al. (1994) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H |
| InChIKey | KQDJTBPASNJQFQ-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1I |
| CAS Datenbank | 533-58-4(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 2-iodo-(533-58-4) |
| EPA chemische Informationen | Phenol, 2-iodo- (533-58-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 2-iodo-2-Iodophenol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[Acros Organics MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (87.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29081000 |
| RTECS-Nr. | SL5500000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT, LIGHT SENSITIVEAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Herstellung & Synthese
synthetische
synthesis of 2-iodophenol: phenol (1a) to react with 0.5 equivalent of iodine and 1 equivalent of hydrogen peroxide in water at room temperature for 24 h, 2,6-diiodophenol (2a) and 2-iodophenol (3) were isolated in yields of 21 and 49%, respectively.