Grundinformationen
- Standard-SMILES
O=C(O)COc1ccc(I)cc1- InChIKey
RKORKXFKXYYHAQ-UHFFFAOYSA-N- Summenformel
- C8H7IO3
- Durchschnittliche Molmasse
- 278,04 g/mol
- Monoisotopische Masse
- 277,94399208
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 4-Iodophenoxyacetic acid
- IUPAC
- 2-(4-iodophenoxy)acetic acid
- Lokaler Name
- (p-Iodphenoxy)essigsure
- Englischer Name
- 4-Iodophenoxyacetic acid
- Summenformel
- C8H7IO3
- Molmasse
- 278.04
Namen und Synonyme
4-Iodophenoxyacetic acid1878-94-0(p-Iodophenoxy)acetic acidDTXSID80172092RefChem:406796DTXCID9094583217-531-02-(4-iodophenoxy)acetic acid(4-iodophenoxy)acetic acidMFCD00014359Acetic acid, (4-iodophenoxy)-Acetic acid, 2-(4-iodophenoxy)-
Weitere Namen anzeigen
4-Iodophenoxyacetic4-IODOPHENOXYACETICACIDE2-(4-iodophenoxy)acetateIodine phenoxyacetic acid4-IodophenoxyaceticAcid>2-(4-iodophenoxy)aceticaci4-IODOPHENOXYACETIC ACID 90%4-Iodophenoxyacetic acid,97%
P-IODOPHENOXYACETIC ACIDEINECS 217-531-0(4-iodo-phenoxy)acetic acidOprea1_031755Oprea1_327553(4-Iodo-phenoxy)-acetic acidCHEMBL366651SCHEMBL2113374
Datenbank-Bezeichner
- CAS
1878-94-0- PubChem CID
- 74658
- DTXSID
DTXSID80172092- ChEMBL
CHEMBL366651- EC Number
- 217-531-0
- Nikkaji
- J135.736K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 152
Experimentelle und physikochemische Eigenschaften
LogP2.69
Physikochemische Eigenschaften
- Schmelzpunkt
- 154 · 154-157 °C(lit.)
- Siedepunkt
- 358.5 · 358.5±22.0 °C(Predicted)
- Dichte
- 1.8227 · 1.8227 (estimate)
- pka
- 1 · pK1:3.16 (25°C)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- BRN
- 2259999 · 2259999
- InChI
- 1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
- InChIKey
- RKORKXFKXYYHAQ-UHFFFAOYSA-N
- SMILES
- OC(=O)COc1ccc(I)cc1
- CAS Datenbank
- 1878 · 1878-94-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29189900
- risk_code
- 36/37/38
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
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