3-(4-Iodophenyl)propanoic acid

HCID 233238CAS 1643-29-4

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Grundinformationen

Standard-SMILES: O=C(O)CCc1ccc(I)cc1
InChIKey: SJMRZGIIQIWIFS-UHFFFAOYSA-N
Summenformel: C9H9IO2
Durchschnittliche Molmasse: 276,07 g/mol
Monoisotopische Masse: 275,96473

Namen und Bezeichner

Bevorzugter Name: 3-(4-Iodophenyl)propanoic acid
IUPAC: 3-(4-iodophenyl)propanoic acid
Englischer Name: 3-(4-IODOPHENYL)PROPIONIC ACID
Summenformel: C9H9IO2
Molmasse: 276.07

Namen und Synonyme

3-(4-iodophenyl)propanoic acidDTXSID90283446RefChem:493163DTXCID70234597674-698-61643-29-43-(4-Iodophenyl)propionic acidbenzenepropanoic acid, 4-iodo-MFCD000175974-Iodo-benzenepropanoic acid4-Iodohydrocinnamic acidNSC31595

Weitere Namen anzeigen

3-(4-Iodphenyl)propionsSre3-(4-Iodphenyl)propionicacid

3-(4-iodophenyl)propanoicacidorb3176125SCHEMBL10071603-(4'-iodophenyl)propanoic acidNSC-31595SBB052832AKOS009159241PS-7248

Datenbank-Bezeichner

CAS: 1643-29-4
PubChem CID: 233238
DTXSID: DTXSID90283446
EC Number: 674-698-6
Nikkaji: J468.272F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 140 · 140-142°C
Siedepunkt: 335.4 · 335.4±17.0 °C(Predicted)
Dichte: 1.775 · 1.775±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.61 · 4.61±0.10(Predicted)
Aggregatzustand: solid
Farbe: White to off-white
CAS Datenbank: 1643 · 1643-29-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.