Grundinformationen
- Standard-SMILES
O=[N+]([O-])c1ccc(F)c(F)c1O- InChIKey
KEGOHDCHURMFKX-UHFFFAOYSA-N- Summenformel
- C6H3F2NO3
- Durchschnittliche Molmasse
- 175,09 g/mol
- Monoisotopische Masse
- 175,0080994
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Difluoro-6-nitrophenol
- IUPAC
- 2,3-difluoro-6-nitrophenol
- Englischer Name
- 2,3-DIFLUORO-6-NITROPHENOL
- Summenformel
- C6H3F2NO3
- Molmasse
- 175.09
Namen und Synonyme
2,3-Difluoro-6-nitrophenol82419-26-9DTXSID30369995RefChem:81640DTXCID10321031624-586-8KEGOHDCHURMFKX-UHFFFAOYSA-NMFCD000422552-hydroxy-3,4-difluoronitrobenzene2,3-difluoro-6-nitro-phenolphenol, 2,3-difluoro-6-nitro-6-Nitro-2,3-difluorophenol
Weitere Namen anzeigen
uoro-6-nitrophenoLDifluoro-6-nitrophenol2,3-Didluoro-6-nitrophenol2,3-Difluoro-6-nitrophenol>2,3-Difluoro-6-Nitrophenol98%2,3-Difluoro-6-nitrophenol 97%2,3-Difluoro-6-nitrophenol, 99%
2,3 difluoro 6-nitrophenol2-nitro-5,6-difluorophenolSCHEMBL5211662,3 difluoro 6-nitro phenol2,3-difluoro-6- nitrophenol2-hydroxy-3,4 difluoronitrobenzene2,3-Difluoro-6-nitrophenol, 98%SBB063663
Datenbank-Bezeichner
- CAS
82419-26-9- PubChem CID
- 2733745
- DTXSID
DTXSID30369995- EC Number
- 624-586-8
- Nikkaji
- J92.468G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 66,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 184
Physikochemische Eigenschaften
- Schmelzpunkt
- 60 · 60-62 °C (lit.)
- Siedepunkt
- 215.9 · 215.9±35.0 °C(Predicted)
- Dichte
- 1.52 · 1.5200 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 4.77 · 4.77±0.37(Predicted)
- Farbe
- White to Light yellow to Green
- BRN
- 4410368 · 4410368
- InChI
- 1S/C6H3F2NO3/c7-3-1-2-4(9(11)12)6(10)5(3)8/h1-2,10H
- InChIKey
- KEGOHDCHURMFKX-UHFFFAOYSA-N
- SMILES
- Oc1c(F)c(F)ccc1[N+]([O-])=O
- CAS Datenbank
- 82419 · 82419-26-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
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
- hs_code
- 29089990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- 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
Verwenden2,3-Difluoro-6-nitrophenol was used in the synthesis of 2-methyl-6,7-difluoro-8-oxyquinoline.
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