2,6-Difluoro-4-hydroxybenzonitrile
Grundinformationen
- CAS
123843-57-2- Standard-SMILES
N#Cc1c(F)cc(O)cc1F- InChIKey
KEIYYIGMDPTAPL-UHFFFAOYSA-N- Summenformel
- C7H3F2NO
- Durchschnittliche Molmasse
- 155,1 g/mol
- Monoisotopische Masse
- 155,01827016
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Difluoro-4-hydroxybenzonitrile
- IUPAC
- 2,6-difluoro-4-hydroxybenzonitrile
- Englischer Name
- 2,6-Difluoro-4-hydroxybenzonitrile
- Summenformel
- C7H3F2NO
- Molmasse
- 155.1
Namen und Synonyme
2,6-Difluoro-4-hydroxybenzonitrile123843-57-2DTXSID00381124RefChem:83222DTXCID30332149602-955-44-Cyano-3,5-difluorophenol4-hydroxy-2,6-difluorobenzonitrile3,5-difluoro-4-cyanophenolBenzonitrile, 2,6-difluoro-4-hydroxy-MFCD03094499SCHEMBL81244
Weitere Namen anzeigen
2,6-Difluoro-4-hydro2,6-Difluoro-4-hydroxy3.5-difuoro-4-cyanophenol4-Cyano-3,5-difluorophenol ,99%2,6-Difluoro-4-hydroxybenzonitriler2,6-Difluoro-4-hydroxybenzonitrile>Benzonitrile, 2,6-difluoro-4-hydroxy-
AKOS005063555CS-W003007DS-12290SY0028112,6-difluoro-4-hydroxy-benzonitrile2,6-Difluoro-4-hydroxy benzonitrile2,6-difluoro-4-hydroxybenzenecarbonitrileFT-0602461
Datenbank-Bezeichner
- CAS
123843-57-2- PubChem CID
- 2778774
- DTXSID
DTXSID00381124- EC Number
- 602-955-4
- Nikkaji
- J2.546.217C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 44 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 176
Physikochemische Eigenschaften
- Schmelzpunkt
- 127 °C · 127 °C
- Siedepunkt
- 279.8 · 279.8±40.0 °C(Predicted)
- Dichte
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystaline
- pka
- 5.87 · 5.87±0.23(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
- InChIKey
- KEIYYIGMDPTAPL-UHFFFAOYSA-N
- SMILES
- C(#N)C1=C(F)C=C(O)C=C1F
- CAS Datenbank
- 123843 · 123843-57-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (40%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- 3439
- hs_code
- 29269090
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenIntermediates of Liquid Crystals
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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