4-Iodophenol

HCID 10894CAS 540-38-5
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Grundinformationen

Standard-SMILES
Oc1ccc(I)cc1
InChIKey
VSMDINRNYYEDRN-UHFFFAOYSA-N
Summenformel
C6H5IO
Durchschnittliche Molmasse
220,01 g/mol
Monoisotopische Masse
219,93851278

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-MFCD000023274-iodo-phenol4-Hydroxyiodobenzenep-JodphenolIOL

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phenols
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
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.)
Dichte
1.8573 · 1.8573
Flammpunkt
138 °C/5mm · 138°C/5mm
storage temp.
Refrigerator
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

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 · 1 Eintrag

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

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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