4-Iodphenol
4-Iodophenol
Grundinformationen
- CAS
540-38-5- Standard-SMILES
Oc1ccc(I)cc1- InChIKey
VSMDINRNYYEDRN-UHFFFAOYSA-N- Summenformel
- C6H5IO
- Durchschnittliche Molmasse
- 220,01 g/mol
- Monoisotopische Masse
- 219,93851
Überblick
4-iodophenol is an iodophenol.
Namen und Bezeichner
- Bevorzugter Name
- 4-Iodophenol
- IUPAC
- 4-iodophenol
- Lokaler Name
- 4-Iodphenol
- Englischer Name
- 4-Iodophenol
- Summenformel
- C6H5IO
- Molmasse
- 220.01
Namen und Synonyme
4-IODOPHENOL540-38-5p-Iodophenol4-Hydroxyphenyl iodidep-Hydroxyiodobenzenepara-iodophenolDTXSID4052186BH194BAK0BNSC-91464DTXCID4030756CHEBI:43521RefChem:99468
Weitere Namen anzeigen
4-lodophenoIp-iodo-pheno4-iodo-pheno4-Iodophenol99%I**4-Iodophenol
208-745-5Phenol, 4-iodo-Phenol, p-iodo-4-Hydroxyiodobenzenep-JodphenolMFCD000023274-iodphenol4-iodo-phenol
Datenbank-Bezeichner
- CAS
540-38-5- PubChem CID
- 10894
- DTXSID
DTXSID4052186- ChEMBL
CHEMBL56475- ChEBI
CHEBI:43521- UNII
- BH194BAK0B
- EC Number
- 208-745-5
- Nikkaji
- J53.759D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 66,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.82
Vapor Pressure0.00616 [mmHg]
Physical DescriptionWhite or reddish solid; [Merck Index] Light beige crystalline solid; [Alfa Aesar MSDS]
Collision Cross Section124.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4052186]
Physikochemische Eigenschaften
- Schmelzpunkt
- 92 · 92-94 °C(lit.)
- Siedepunkt
- 138 °C5 · 138 °C5 mm Hg(lit.)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (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.
Gefahrenhinweise
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Phenol. See 4-Fluorophenol.
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29081900
- RTECS-Nr.
- SL5600000
- risk_code
- 21/22-34-36/37/38-20/21/22
- hazard_code
- C,Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-22
- hazard_class
- IRRITANT, LACHRYMATOR
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites4-Iodophenol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-iodophenoxy)oxane-2-carboxylic acid.
Verwendung und Herstellung
General Manufacturing InformationPhenol, 4-iodo-: ACTIVE
Anwendungen
Verwenden4-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.
Darstellung
synthetischeIt is obtained from 4-Aminophenol by diazotisation and substitution.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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