Grundinformationen
- CAS
405-79-8- Standard-SMILES
O=C(O)COc1ccc(F)cc1- InChIKey
ZBIULCVFFJJYTN-UHFFFAOYSA-N- Summenformel
- C8H7FO3
- Durchschnittliche Molmasse
- 170,14 g/mol
- Monoisotopische Masse
- 170,03792224
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluorophenoxyacetic acid
- IUPAC
- 2-(4-fluorophenoxy)acetic acid
- Lokaler Name
- 4-Fluorphenoxyessigsure
- Englischer Name
- 4-Fluorophenoxyacetic acid
- Summenformel
- C8H7FO3
- Molmasse
- 170.14
Namen und Synonyme
4-FLUOROPHENOXYACETIC ACID405-79-8p-Fluorophenoxyacetic acidAcetic acid, (4-fluorophenoxy)-DTXSID30193510EINECS 206-974-5NSC 49589RefChem:99039DTXCID70116001Acetic acid, (4-fluorophenoxy)-(9CI)206-974-5InChI=1/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11
Weitere Namen anzeigen
AKOS B013819AKOS AU36-M57BUTTPARK 29\07-614-Fluorophenoxyaceti2-(4-fluorophenoxy)acetateP-Fluorophenyl oxygen acid4-Fluorophenoxyaceticacid98%alpha-Carboxy-4-fluoroanisole
ZBIULCVFFJJYTN-UHFFFAOYSA-N2-(4-fluorophenoxy)acetic acid(4-fluorophenoxy)acetic acidMFCD000043042-(4-fluorophenoxy)ethanoic acidUNII-E9SUJ92N8YE9SUJ92N8Y(4-fluoro-phenoxy)-acetic acid
Datenbank-Bezeichner
- CAS
405-79-8- PubChem CID
- 67882
- DTXSID
DTXSID30193510
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 152
Physikochemische Eigenschaften
- Schmelzpunkt
- 104 · 104-104.5 °C (lit.)
- Siedepunkt
- 295.2 · 295.2±15.0 °C(Predicted)
- Dichte
- 1.2708 · 1.2708 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly)
- Aggregatzustand
- Solid
- pka
- 1 · pK1:3.13 (25°C)
- Farbe
- White to Off-White
- BRN
- 2259128 · 2259128
- InChI
- 1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
- InChIKey
- ZBIULCVFFJJYTN-UHFFFAOYSA-N
- SMILES
- OC(=O)COc1ccc(F)cc1
- CAS Datenbank
- 405 · 405-79-8(CAS DataBase Reference)
- NIST chemische Informationen
- P-fluorophenoxyacetic acid(405-79-8)
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
Warning
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29189900
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
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