4-Fluoro-2-methoxyaniline

HCID 13532228

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Grundinformationen

CAS: 450-91-9
Standard-SMILES: COc1cc(F)ccc1N
InChIKey: BNRRMRUVYDETQC-UHFFFAOYSA-N
Summenformel: C7H8FNO
Durchschnittliche Molmasse: 141,14 g/mol
Monoisotopische Masse: 141,05899204

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-2-methoxyaniline
IUPAC: 4-fluoro-2-methoxyaniline
Englischer Name: 4-Fluoro-2-methoxyaniline
Summenformel: C7H8FNO
Molmasse: 141.14

Namen und Synonyme

4-Fluoro-2-methoxyaniline450-91-9DTXSID70543136RefChem:292775DTXCID30493921814-457-62-Methoxy-4-fluoroaniline4-fluoro-2-methoxy-anilineMFCD000775364-Fluoro-o-anisidineBenzenamine, 4-fluoro-2-methoxy-4-FLUORO-2-METHOXYBENZENAMINE

Weitere Namen anzeigen

4-Fluro-2-methoxyaniline4-fluoro-2-o-methoxyaniline4-Fluoro-2-methoxyaniline 97%

2-AMINO-5-FLUOROANISOLEo-Anisidine, 4-fluoro-2-Methoxy-4-fluoroaniline;DF76EF6P5Y4-fluoro-2-methoxyphenylamineSCHEMBL4559824-fluoro-2-(methyloxy)aniline4-Fluoro-2-methoxy-phenylamine

Datenbank-Bezeichner

CAS: 450-91-9
PubChem CID: 13532228
DTXSID: DTXSID70543136
UNII: DF76EF6P5Y
EC Number: 814-457-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 215 ℃ · 215℃ (756 Torr)
Dichte: 1.176 · 1.176±0.06 g/cm3 (20 ºC 760 Torr)
Brechungsindex: 1.54 to · 1.5400 to 1.5440
Flammpunkt: 79.5 · 79.5±21.8℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Solid
pka: 4.6 · 4.60±0.10(Predicted)
Farbe: Colorless to Brown
InChI: InChI=1S/C7H8FNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChIKey: BNRRMRUVYDETQC-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C=C1OC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (66.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (66.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (66.7%)；Acute Tox. 3 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (66.7%)；STOT SE 3 (66.7%)