2-Fluorbenzonitril

2-Fluorobenzonitrile

HCID 67855CAS 394-47-8

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Grundinformationen

Standard-SMILES: N#Cc1ccccc1F
InChIKey: GDHXJNRAJRCGMX-UHFFFAOYSA-N
Summenformel: C7H4FN
Durchschnittliche Molmasse: 121,11 g/mol
Monoisotopische Masse: 121,03277735

Namen und Bezeichner

Bevorzugter Name: 2-Fluorobenzonitrile
IUPAC: 2-fluorobenzonitrile
Lokaler Name: 2-Fluorbenzonitril
Englischer Name: 2-Fluorobenzonitrile
Summenformel: C7H4FN
Molmasse: 121.11

Namen und Synonyme

2-FluorobenzonitrileBenzonitrile, 2-fluoro-EINECS 206-897-7NSC 88278DTXSID60599422-FLUORO-BENZOIC ACID-NITRILERefChem:87149DTXCID1039630206-897-7GDHXJNRAJRCGMX-UHFFFAOYSA-NInChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4394-47-8

Weitere Namen anzeigen

2-FBNuorobenzonitriL2-fluoronitrile2-FluorbenzonitrilO-Fluorobenzonitile2-Fluorocyanobenzene

o-Fluorobenzonitrileo-Cyanofluorobenzene2-CyanofluorobenzeneBenzonitrile, o-fluoro-MFCD000017732-fluorobenzenenitrilefluorobenzonitrile2-fluorobenzenecarbonitrile

Datenbank-Bezeichner

CAS: 394-47-8
PubChem CID: 67855
DTXSID: DTXSID6059942
UNII: C2EJ9H4G6R
EC Number: 206-897-7
Nikkaji: J149.718I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 135

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: -13.7 °C · -13.7 °C
Siedepunkt: 90 °C21 · 90 °C21 mm Hg(lit.)
Dichte: 1.116 g/mL · 1.116 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.505(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform
Aggregatzustand: Liquid
Farbe: Clear colorless to light brownish
Wasserlöslichkeit: Insoluble
BRN: 2042184 · 2042184
InChI: 1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChIKey: GDHXJNRAJRCGMX-UHFFFAOYSA-N
SMILES: Fc1ccccc1C#N
CAS Datenbank: 394 · 394-47-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzonitrile, 2-fluoro-(394-47-8)
EPA chemische Informationen: 2 · Benzonitrile, 2-fluoro- (394-47-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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, P305+P354+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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Benzonitrile, 2-fluoro-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 3276
hs_code: 29269095
risk_code: 22-37/38-41-36/37/38-20/21/22
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-39-36/37/39-36
hazard_class: IRRITANT, IRRITANT-HARMFUL
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzonitrile, 2-fluoro-: INACTIVE

Anwendungen · 2 Einträge

Verwenden2-Fluorobenzonitrile, also known as o-fluorobenzonitrile, is an organic aromatic fluoride. It has a wide range of applications in pharmaceuticals, pesticides, dyestuffs, etc. In the field of dyestuff, the introduction of fluorine atom makes the dyed products bright and colorful and less likely to fade, among other advantages.

Verwenden2-Fluorobenzonitrile was used in the synthesis of :3-amino-1,2-benzisoxazoles6-(acetylaminomethyl)-3-amino-1,2-benzisoxazole5-(4′-methyl [1, 1′-biphenyl]-2-yl)-1H-tetrazolexanthone-iminium triflates