Grundinformationen
- CAS
2106-05-0- Standard-SMILES
Nc1cc(Cl)ccc1F- InChIKey
JCYROOANFKVAIB-UHFFFAOYSA-N- Summenformel
- C6H5ClFN
- Durchschnittliche Molmasse
- 145,56 g/mol
- Monoisotopische Masse
- 145,009455
Namen und Bezeichner
- Bevorzugter Name
- 5-Chloro-2-fluoroaniline
- IUPAC
- 5-chloro-2-fluoroaniline
- Lokaler Name
- 5-Chlor-2-fluoranilin
- Englischer Name
- 5-Chloro-2-fluoroaniline
- Summenformel
- C6H5ClFN
- Molmasse
- 145.56
Namen und Synonyme
5-Chloro-2-fluoroaniline2106-05-0JCYROOANFKVAIB-UHFFFAOYSA-DTXSID40175286EINECS 218-284-1NSC 10291RefChem:102302DTXCID7097777218-284-1InChI=1/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H25-Chloro-2-fluorophenylamineBenzenamine, 5-chloro-2-fluoro-
Weitere Namen anzeigen
BUTTPARK 44\01-985-Chloro-2-fluoroani5-Chloro-2-fluoroaniline>5-Chloro-2-fluoroaniline98%5-Chloro-2-fluoroaniline 98%5-Chloro-2-fluoroaniline, 97+%
MFCD00069416EMD2GPF3XZ2-fluoro-5-chloroanilineNSC-102915-chloro-2-fluoro-anilineNSC10291UNII-EMD2GPF3XZ5-chloro-2-fluorobenzenamine
Datenbank-Bezeichner
- CAS
2106-05-0- PubChem CID
- 75015
- DTXSID
DTXSID40175286- UNII
- EMD2GPF3XZ
- EC Number
- 218-284-1
- Nikkaji
- J298.696E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 99
Physikochemische Eigenschaften
- Siedepunkt
- 102 · 102-105 °C/20 mmHg (lit.)
- Dichte
- 1.29 g/mL · 1.29 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.561(lit.)
- Flammpunkt
- 219 °F · 219 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- clear liquid
- pka
- 2.15 · 2.15±0.10(Predicted)
- Farbe
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
- InChIKey
- JCYROOANFKVAIB-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(Cl)=CC=C1F
- CAS Datenbank
- 2106 · 2106-05-0(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.
Warning
H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (86%): 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 50 reports by companies.；There are 8 notifications provided by 48 of 50 reports by companies with hazard statement code(s).；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
Regulatory InformationStatus: Active Update: 15-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/32105
Hazard Classes and CategoriesAcute Tox. 4 (10%)；Skin Irrit. 2 (96%)；Eye Irrit. 2 (96%)；STOT SE 3 (86%)
Regulatorische Informationen
Regulatory Information
Chemie und Industrie
Anwendungen
Verwenden5-Chloro-2-fluoroaniline is also involved in the synthesis of glucocorticoid receptor agonist for inflammation treatments.
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