2,6-Dibromo-4-fluoroaniline
Grundinformationen
- CAS
344-18-3- Standard-SMILES
Nc1c(Br)cc(F)cc1Br- InChIKey
VHPLZFGCNLDYQH-UHFFFAOYSA-N- Summenformel
- C6H4Br2FN
- Durchschnittliche Molmasse
- 268,91 g/mol
- Monoisotopische Masse
- 266,86945155
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dibromo-4-fluoroaniline
- IUPAC
- 2,6-dibromo-4-fluoroaniline
- Englischer Name
- 2,6-Dibromo-4-fluoroaniline
- Summenformel
- C6H4Br2FN
- Molmasse
- 268.91
Namen und Synonyme
2,6-Dibromo-4-fluoroaniline344-18-3DTXSID40287631RefChem:83138DTXCID90238779608-987-5InChI=1/C6H4Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10HVHPLZFGCNLDYQH-UHFFFAOYSA-N1-amino-2,6-dibromo-4-fluorobenzeneMFCD000414452,6-dibromo-4-fluoro-aniline2,6-dibromo-4-flouroaniline
Weitere Namen anzeigen
2,6-Dibromo-4-fluoro2,6-DIBROMO-4-FLUOROANLINE2,6-Dibromo-4-Tluoroaniline2,6-Dibromo-4-fluoroaniline>2,6-Dibromo-4-fluoroaniline98%2,6-Dibromo-4-fluoroaniline 98%2,6-Dibromo-4-fluoroaniline, 95%
2,6-dibromo-4-fluoro-phenylamineAKOS000120587CS-W010104AS-12300Z104487474Benzenamine, 2,6-dibromo-4-fluoro-NSC51868AM20040221
Datenbank-Bezeichner
- CAS
344-18-3- PubChem CID
- 242872
- DTXSID
DTXSID40287631- EC Number
- 608-987-5
- Nikkaji
- J2.522.369A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 110
Physikochemische Eigenschaften
- Schmelzpunkt
- 64 · 64-66 °C (lit.)
- Siedepunkt
- 265.2 · 265.2±35.0 °C(Predicted)
- Dichte
- 2.0271 · 2.0271 (rough estimate)
- Brechungsindex
- 1.464 · 1.4640 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- powder to crystal
- pka
- 0.54 · 0.54±0.10(Predicted)
- Farbe
- White to Amber to Dark purple
- BRN
- 3246923 · 3246923
- InChI
- 1S/C6H4Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
- InChIKey
- VHPLZFGCNLDYQH-UHFFFAOYSA-N
- SMILES
- Nc1c(Br)cc(F)cc1Br
- CAS Datenbank
- 344 · 344-18-3(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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29214200
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T
- hazard_note
- Toxic
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,6-Dibromo-4-fluoroaniline was employed in the asymmetric synthesis of prostaglandin D2 receptor antagonist for the treatment of allergic rhinitis.
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