2-Fluoro-4-(trifluoromethyl)benzonitrile

HCID 518973

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Grundinformationen

CAS: 146070-34-0
Standard-SMILES: N#Cc1ccc(C(F)(F)F)cc1F
InChIKey: JLTYVTXTSOYXMX-UHFFFAOYSA-N
Summenformel: C8H3F4N
Durchschnittliche Molmasse: 189,11 g/mol
Monoisotopische Masse: 189,02016175

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-(trifluoromethyl)benzonitrile
IUPAC: 2-fluoro-4-(trifluoromethyl)benzonitrile
Englischer Name: 2-Fluoro-4-(trifluoromethyl)benzonitrile
Summenformel: C8H3F4N
Molmasse: 189.11

Namen und Synonyme

2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-0alpha,alpha,alpha,2-Tetrafluoro-p-tolunitrileJLTYVTXTSOYXMX-UHFFFAOYSA-DTXSID90333859.alpha.,.alpha.,.alpha.,2-Tetrafluoro-p-tolunitrileRefChem:87068DTXCID00284949626-086-5InChI=1/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3HJLTYVTXTSOYXMX-UHFFFAOYSA-NBenzonitrile, 2-fluoro-4-(trifluoromethyl)-

Weitere Namen anzeigen

BUTTPARK 45\03-646-FLUORO-O-ANISONITRILE2-CYANO-3-FLUOROANISOLE4-CYANO-3-FLUOROBENZOTRIFLUORIDE3-FLUORO-4-CYANO-BENZOTRIFLUORIDEα,α,α,2-tetrafluoro-p-tolunitrileà,à,à,2-tetrafluoro-p-tolunitrile2-Fluoro-4-(trifluorMethyl )benzonitrile2-Fluoro-4-(trifluoromethyl)benzonitrile97%

MFCD000612793-fluoro-4-cyanobenzotrifluoride2-fluoro-4-(trifluoromethyl)benzenecarbonitrile2-fluoro-4-trifluoromethylbenzonitrile2-fluoro-4-trifluoromethyl-benzonitrileSCHEMBL4954262-fluoro4-trifluoromethylbenzonitrileSBB063882

Datenbank-Bezeichner

CAS: 146070-34-0
PubChem CID: 518973
DTXSID: DTXSID90333859
EC Number: 626-086-5
Nikkaji: J1.130.613F

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

Schmelzpunkt: 103 · 103-105 °C(lit.)
Siedepunkt: 178 · 178-180°C
Dichte: 1.358 g/mL · 1.358 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.446(lit.)
Flammpunkt: 168 °F · 168 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Wichte: 1.358 · 1.358
BRN: 8313354 · 8313354
InChI: 1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChIKey: JLTYVTXTSOYXMX-UHFFFAOYSA-N
SMILES: Fc1cc(ccc1C#N)C(F)(F)F
CAS Datenbank: 146070 · 146070-34-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Fluoro-4-(trifluoromethyl)benzonitrile(146070-34-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 36/37/38-20/21/22
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-36/37/39-45-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3