2-Fluoro-6-hydroxybenzonitrile

HCID 2783216

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Grundinformationen

CAS: 140675-43-0
Standard-SMILES: N#Cc1c(O)cccc1F
InChIKey: YEBHNFDMNFHZFF-UHFFFAOYSA-N
Summenformel: C7H4FNO
Durchschnittliche Molmasse: 137,11 g/mol
Monoisotopische Masse: 137,02769197

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-6-hydroxybenzonitrile
IUPAC: 2-fluoro-6-hydroxybenzonitrile
Englischer Name: 2-Fluoro-6-hydroxybenzonitrile
Summenformel: C7H4FNO
Molmasse: 137.11

Namen und Synonyme

2-fluoro-6-hydroxybenzonitrile140675-43-02-Cyano-3-FluorophenolDTXSID00382515RefChem:472534DTXCID80333540642-487-86-fluorosalicylonitrileBenzonitrile, 2-fluoro-6-hydroxy-2-Fluoro-6-hydroxy-benzonitrileMFCD034285926-Fluoro-2-hydroxybenzonitrile

Weitere Namen anzeigen

2-fuoro-6-hydroxybenzonitrle2-Fluoro-6-hydroxybenzonitrile >2-Fluoro-6-hydroxybenzonitrile 99%2-FLUORO-6-HYDROXYBENZONITRILE,98+%Benzonitrile, 2-fluoro-6-hydroxy- (9CI)

CL8166F0985EN300-433172-FLUORO-6-HYDROXYBENZONITRLEFT-0643319SCHEMBL309782-hydroxy-6-fluorobenzonitrileSCHEMBL3154084

Datenbank-Bezeichner

CAS: 140675-43-0
PubChem CID: 2783216
DTXSID: DTXSID00382515
EC Number: 642-487-8
Nikkaji: J1.092.459F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 44 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 156 · 156-158°C
Siedepunkt: 257.5 · 257.5±25.0 °C(Predicted)
Dichte: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 6.17 · 6.17±0.10(Predicted)
Farbe: White to Light yellow
BRN: 8403914 · 8403914
InChI: InChI=1S/C7H4FNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey: YEBHNFDMNFHZFF-UHFFFAOYSA-N
SMILES: C(#N)C1=C(O)C=CC=C1F
CAS Datenbank: 140675 · 140675-43-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.