Grundinformationen
- Standard-SMILES
N#Cc1ccc(O)cc1F- InChIKey
REIVHYDACHXPNH-UHFFFAOYSA-N- Summenformel
- C7H4FNO
- Durchschnittliche Molmasse
- 137,11 g/mol
- Monoisotopische Masse
- 137,02769197
Namen und Bezeichner
- Bevorzugter Name
- 2-Fluoro-4-hydroxybenzonitrile
- IUPAC
- 2-fluoro-4-hydroxybenzonitrile
- Englischer Name
- 2-Fluoro-4-hydroxybenzonitrile
- Summenformel
- C7H4FNO
- Molmasse
- 137.11
Namen und Synonyme
2-Fluoro-4-hydroxybenzonitrile82380-18-5DTXSID30370440EC 422-810-7RefChem:472352DTXCID10321475422-810-7617-324-94-Cyano-3-fluorophenol3-fluoro-4-cyanophenol2-fluoro-4-hydroxy-benzonitrileMFCD00192177
Weitere Namen anzeigen
FCPCompound Fr136972-Fluoro-4-hydroxybe3-Fluoro-p-cyanophenol3-fluoro-4-cyanopehenol3-FORMYL-5-BROMOPYRIDINE
4-Hydroxy-2-fluorobenzonitrile2-fluoro-4-hydroxybenzenecarbonitrile2-fluoro-4-benzonitrileBENZONITRILE, 2-FLUORO-4-HYDROXY-8H84wh7fluoro-4-hydroxybenzonitrile2-fluoro4-hydroxybenzonitrile
Datenbank-Bezeichner
- CAS
82380-18-5- PubChem CID
- 2734675
- DTXSID
DTXSID30370440- EC Number
- 422-810-7、617-324-9
- Nikkaji
- J1.635.318C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 44 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 162
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-125 °C (lit.)
- Siedepunkt
- 285.4 · 285.4±25.0 °C(Predicted)
- Dichte
- 1 · 1,45 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 4.7 g/l · 4.7g/l
- pka
- 6.84 · 6.84±0.18(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- PH
- 4.2 · 4.2 (H2O, 20℃)(saturated aqueous solution)
- BRN
- 4741066 · 4741066
- InChI
- InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
- InChIKey
- REIVHYDACHXPNH-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(O)C=C1F
- CAS Datenbank
- 82380 · 82380-18-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Danger
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4732
Hazard Classes and Categories
Acute Tox. 4 (97.7%)
Acute Tox. 4 (98%)
Acute toxicity - category 4
Acute Tox. 4 *
Sicherheitsdaten
- wgk
- 2
- ridadr
- 3276
- hs_code
- 29269095
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1
Chemie und Industrie
Anwendungen
Verwenden2-Fluoro-4-hydroxybenzonitrile may be used in the synthesis of 4-cyano-3-fluorophenyl 4-(hexadecyloxy) benzoate.
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