4-Fluorphenylacetonitril

Benzeneacetonitrile, 4-fluoro-

HCID 68016CAS 459-22-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#CCc1ccc(F)cc1
InChIKey: JHQBLYITVCBGTO-UHFFFAOYSA-N
Summenformel: C8H6FN
Durchschnittliche Molmasse: 135,14 g/mol
Monoisotopische Masse: 135,04842741

Namen und Bezeichner

Bevorzugter Name: Benzeneacetonitrile, 4-fluoro-
IUPAC: 2-(4-fluorophenyl)acetonitrile
Lokaler Name: 4-Fluorphenylacetonitril
Englischer Name: 4-Fluorophenylacetonitrile
Summenformel: C8H6FN
Molmasse: 135.14

Namen und Synonyme

4-Fluorophenylacetonitrile459-22-34-Fluorobenzyl cyanidep-Fluorobenzyl cyanideBenzeneacetonitrile, 4-fluoro-4-Fluorobenzylcyanide4-Fluorobenzeneacetonitrilep-FluorophenylacetonitrileAcetonitrile, (p-fluorophenyl)-EINECS 207-286-8NSC 60739BRN 1907764

Weitere Namen anzeigen

4-FluorobenzylAM0210000 [RTECS]4-Fluoroacetonitrile4-FLUOROBENZYLNITRILEp-Fluorobenzyl nitrile4-FluorobenzylCyanide>4-Fluoroethylene nitrilePARA-FLUOROBENZYL CYANIDE

554W6Z2TV5NSC-60739DTXSID8060030P-FLUOROBENZENEACETONITRILE4-09-00-01673 (Beilstein Handbook Reference)RefChem:562966DTXCID1040451207-286-8

Datenbank-Bezeichner

CAS: 459-22-3
PubChem CID: 68016
DTXSID: DTXSID8060030
UNII: 554W6Z2TV5
EC Number: 207-286-8
Nikkaji: J1.534B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 139

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDielectric constant

Physikochemische Eigenschaften

Schmelzpunkt: 86 °C · 86°C
Siedepunkt: 119 · 119-120 °C/18 mmHg (lit.)
Dichte: 1.126 g/mL · 1.126 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5002(lit.)
Flammpunkt: 227 °F · 227 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
BRN: 1907764 · 1907764
InChI: InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKey: JHQBLYITVCBGTO-UHFFFAOYSA-N
SMILES: C1(CC#N)=CC=C(F)C=C1
CAS Datenbank: 459 · 459-22-3(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Fluorophenylacetic acid nitrile(459-22-3)
EPA chemische Informationen: 4 · Benzeneacetonitrile, 4-fluoro- (459-22-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (96.1%): 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (96.1%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3276 6.1/PG 3
hs_code: 29269090
RTECS-Nr.: AM0210000
risk_code: 20/21/22-36/37/38-20/21/22/36/37/38-20/20/22
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-36-24/25-26/36/37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3