(3,5-Bis(trifluoromethyl)phenyl)acetonitrile
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
85068-32-2- Standard-SMILES
N#CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
YXGWYBUKRTYHJM-UHFFFAOYSA-N- Summenformel
- C10H5F6N
- Durchschnittliche Molmasse
- 253,14 g/mol
- Monoisotopische Masse
- 253,03261814
Namen und Bezeichner
- Bevorzugter Name
- (3,5-Bis(trifluoromethyl)phenyl)acetonitrile
- IUPAC
- 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
- Englischer Name
- 3,5-Bis(trifluoromethyl)phenylacetonitrile
- Summenformel
- C10H5F6N
- Molmasse
- 253.14
Namen und Synonyme
85068-32-2EINECS 285-294-0(3,5-Bis(trifluoromethyl)phenyl)acetonitrile[3,5-bis(trifluoromethyl)phenyl]acetonitrile3,5-Bis(trifluoromethyl)benzeneacetonitrileDTXSID50234136RefChem:399339DTXCID50156627285-294-03,5-Bis(trifluoromethyl)phenylacetonitrile2-(3,5-bis(trifluoromethyl)phenyl)acetonitrile2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
Weitere Namen anzeigen
3,5-DI(TRIFLUORO METHYL)BENZYL CYANIDE2-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETONITRILE3,5-Bis(trifluoromethyl)phenylacetonitrile98%3,5-Bis(trifluoromethyl)phenylacetonitrile 98%3,5-Bis(trifluoromethyl)phenylacetonitrile >Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-
3,5-Bis(trifluoromethyl)benzyl Cyanide3,5-di(trifluoromethyl)benzyl cyanideMFCD00009904Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-3,5-bis-trifluoromethyl-phenylacetonitrileCS-01584852-[3,5-bis(trifluoromethyl)phenyl]ethanenitrile(3,5-bis-trifluorometh
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 287
Physikochemische Eigenschaften
- Siedepunkt
- 195.4 · 195.4±35.0 °C(Predicted)
- Dichte
- 1.42 g/mL · 1.42 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.4234(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Difficult to mix.
- Aggregatzustand
- powder to lump to clear liquid
- Farbe
- White or Colorless to Light yellow
- Wichte
- 1.42 · 1.420
- BRN
- 6810362 · 6810362
- InChI
- 1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
- InChIKey
- YXGWYBUKRTYHJM-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(CC#N)cc(c1)C(F)(F)F
- CAS Datenbank
- 85068 · 85068-32-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (89.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): 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 47 reports by companies from 7 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 (95.7%)；Acute Tox. 4 (95.7%)；Skin Irrit. 2 (89.4%)；Eye Irrit. 2 (89.4%)；Acute Tox. 4 (95.7%)；STOT SE 3 (87.2%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29269090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,C,Xi
- hazard_note
- Corrosive
Chemie und Industrie
Anwendungen
Verwenden3,5-Bis(trifluoromethyl)phenylacetonitrile may be used in chemical synthesis.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter83 Anbieter
梯希爱(上海)化成工业发展有限公司
Zugehörige Reaktionen
6
Notizen zur Verbindung
Wird geladen…