Grundinformationen
- Standard-SMILES
COc1cc(N)ccc1F- InChIKey
XAACOEWSHBIFGJ-UHFFFAOYSA-N- Summenformel
- C7H8FNO
- Durchschnittliche Molmasse
- 141,14 g/mol
- Monoisotopische Masse
- 141,05899204
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluoro-3-methoxyaniline
- IUPAC
- 4-fluoro-3-methoxyaniline
- Englischer Name
- 4-Fluoro-3-methoxyaniline
- Summenformel
- C7H8FNO
- Molmasse
- 141.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
64465-53-8- PubChem CID
- 2774533
- DTXSID
DTXSID00379081- EC Number
- 634-503-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 35,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 110
Physikochemische Eigenschaften
- Schmelzpunkt
- 66 · 66-68
- Siedepunkt
- 135 °C · 135 °C(Press: 18 Torr)
- Dichte
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Aggregatzustand
- solid
- pka
- 4.23 · 4.23±0.10(Predicted)
- Farbe
- Brown to black
- InChI
- InChI=1S/C7H8FNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
- InChIKey
- XAACOEWSHBIFGJ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(F)C(OC)=C1
- CAS Datenbank
- 64465 · 64465-53-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (94.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (97.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (94.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 8 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
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2922290090
- risk_code
- 20/21/22-36/37/38-52-41-37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden4-Fluoro-3-methoxyaniline serves as a precursor in the synthesis of 4-trifluoromethyl-4,5-dihydro-1H-pyrrole derivatives, formed by reacting with substituted β-oxoamides (such as N-(4-fluoro-3-methoxyphenyl)-3-oxobutanamide) and 3-bromo-1,1,1-trifluoropropan-2-one[4].
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