4-Iodophenylacetic acid

HCID 137214CAS 1798-06-7

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Grundinformationen

Standard-SMILES: O=C(O)Cc1ccc(I)cc1
InChIKey: FJSHTWVDFAUNCO-UHFFFAOYSA-N
Summenformel: C8H7IO2
Durchschnittliche Molmasse: 262,04 g/mol
Monoisotopische Masse: 261,94907746

Überblick

a radiopharmaceutical

Namen und Bezeichner

Bevorzugter Name: 4-Iodophenylacetic acid
IUPAC: 2-(4-iodophenyl)acetic acid
Englischer Name: 4-Iodophenylacetic acid
Summenformel: C8H7IO2
Molmasse: 262.04

Namen und Synonyme

4-Iodophenylacetic acid1798-06-7DTXSID10170864RefChem:524259DTXCID9093355681-569-82-(4-iodophenyl)acetic acid(4-iodophenyl)acetic acidBenzeneacetic acid, 4-iodo-MFCD000829854-IodophenylaceticacidP-iodophenylacetic acid

Weitere Namen anzeigen

4-IodophenylaceticRARECHEM AL BO 05924-Iodobenzeneaceticacid2-(4-iodophenyl)aceticaci4-Iodophenylacetic acid,97%2-(4-iodophenyl)ethanoic acid

(4-Iodo-phenyl)-acetic acid4-Iodoohenylacetic acid2-(4-iodophenyl)aceticacidSCHEMBL166723NSC4614NSC 4614NSC-46144-iodophenylacetic acid, AldrichCPR

Datenbank-Bezeichner

CAS: 1798-06-7
PubChem CID: 137214
DTXSID: DTXSID10170864
EC Number: 681-569-8、920-826-3
Nikkaji: J474.384I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Physikochemische Eigenschaften

Schmelzpunkt: 134 · 134-136°C
Siedepunkt: 323.7 · 323.7±17.0 °C(Predicted)
Dichte: 1.885 · 1.885±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 1 · pK1:4.178 (25°C)
Aggregatzustand: solid
Farbe: White
Wasserlöslichkeit: Insoluble in water.
BRN: 1940558 · 1940558
CAS Datenbank: 1798 · 1798-06-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Sicherheitsdaten

hs_code: 2916399090
risk_code: 36/37/38-41
hazard_code: Xi
safety_code: 26-36/37/39-39
hazard_class: IRRITANT, LIGHT SENSITIVE

Chemie und Industrie

Anwendungen

Verwenden4-Iodophenylacetic acid, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used in suzuki coupling reaction transport.