2-Fluoro-5-(trifluoromethyl)benzonitrile

HCID 521016CAS 4088-84-0

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Grundinformationen

Standard-SMILES: N#Cc1cc(C(F)(F)F)ccc1F
InChIKey: LCLVMSCLLULGRY-UHFFFAOYSA-N
Summenformel: C8H3F4N
Durchschnittliche Molmasse: 189,11 g/mol
Monoisotopische Masse: 189,02016198

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-5-(trifluoromethyl)benzonitrile
IUPAC: 2-fluoro-5-(trifluoromethyl)benzonitrile
Englischer Name: 2-Fluoro-5-(trifluoromethyl)benzonitrile
Summenformel: C8H3F4N
Molmasse: 189.11

Namen und Synonyme

2-Fluoro-5-(trifluoromethyl)benzonitrile4088-84-0DTXSID40334533RefChem:87092DTXCID50285623642-645-6LCLVMSCLLULGRY-UHFFFAOYSA-N2-fluoro-5-trifluoromethylbenzonitrile3-cyano-4-fluorobenzotrifluorideBenzonitrile, 2-fluoro-5-(trifluoromethyl)-MFCD00061280alpha,alpha,alpha,6-Tetrafluoro-m-tolunitrile

Weitere Namen anzeigen

3-Cyano-4-fluorobenzà,à,à,6-tetrafluoro-m-tolunitrile2-Fluoro-5-(trifluoromethyl)benzonitrile>2-Fluoro-5-(trifluoromethyl)benzonitrile97%2-Cyano-1-fluoro-4-(trifluoromethyl)benzene2-Fluoro-5-(trifluoromethyl)benzonitrile 97%alpha,alpha,alpha-6-Tetrafluoro-m-tolunitrile

PS-8421SY0145472-fluoro-5-(trifluoromethyl)benzenecarbonitrileEN300-104085FT-0612348SCHEMBL283060SBB064081AKOS005255560

Datenbank-Bezeichner

CAS: 4088-84-0
PubChem CID: 521016
DTXSID: DTXSID40334533
EC Number: 642-645-6
Nikkaji: J3.600.731A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 226

Physikochemische Eigenschaften

Siedepunkt: 185 · 185-187°C
Dichte: 1.373 · 1.373
Brechungsindex: 1.446 · 1.446
Flammpunkt: 185 · 185-187°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 1.37 · 1.37
BRN: 2616671 · 2616671
CAS Datenbank: 4088 · 4088-84-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (16.7%): 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 12 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (16.7%)

Sicherheitsdaten

ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38-22
hazard_code: T,Xi,Xn
hazard_note: Toxic
safety_code: 26-36/37/39-45-36-36/37-23-9
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Fluoro-5-(trifluoromethyl)benzonitrile is an important intermediate in organic synthesis and is used to synthesize a variety of complex organic compounds, including specific molecules in the fields of medicine, pesticides and materials science.