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HCID 75360Erstellt: 26. Oktober 2026

m-Trifluoromethylphenylacetonitrile

3-(TRIFLUOROMETHYL)PHENYLACETONITRILE · 3-Trifluormethylbenzylcyanide · 3-TRIFLUOROMETHYLBENZYLNITRILE · M-TRIFLUOROMETHYLBENZYL CYANIDE · 3-(TRIFLUOROMETHYL)BENZYL CYANIDE · Trifluoromethyl benzene acetonitrile · 3-(Trifluoromethyl)ohenylacetonitrile · M-(TRIFLUOROMETHYL)PHENYLACETONITRILE

https://huagongshe.com/de/chemical/75360

Molekülstruktur von m-Trifluoromethylphenylacetonitrile

Identifikatoren & physikalische Daten

CAS No.2338-76-3
SummenformelC9H6F3N
Durchschnittliche Molmasse185,15 g/mol
Monoisotopische Masse185,04523385 g/mol
SMILESN#CCc1cccc(C(F)(F)F)c1
InChIKeyJOIYKSLWXLFGGR-UHFFFAOYSA-N
PubChem CID75360
ChEMBLCHEMBL3560055
EC No.219-053-8
DTXSIDDTXSID9044617

Chemische & physikalische Eigenschaften

XLogP2,8
Polarare Oberfläche (TPSA)23,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen1
Schwere Atome13
Formalladung0
Komplexität213
Collision Cross Section129.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID9044617]
Siedepunkt92-93 °C4 mm Hg(lit.)
Dichte1.187 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.4565(lit.)
Flammpunkt120 °F
LagerbedingungenSealed in dry,Room Temperature
Aggregatzustandclear liquid
FarbeColorless to Almost colorless
Wichte1.187
BRN909640
InChIInChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChIKeyJOIYKSLWXLFGGR-UHFFFAOYSA-N
SMILESC1(CC#N)=CC=CC(C(F)(F)F)=C1
CAS Datenbank2338-76-3(CAS DataBase Reference)
NIST chemische InformationenBenzeneacetonitrile, 3-(trifluoromethyl)-(2338-76-3)
EPA chemische InformationenBenzeneacetonitrile, 3-(trifluoromethyl)- (2338-76-3)

Sicherheit & Vorschriften

GHS-EinstufungWarningH226 (91.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.
Hazard Classes and CategoriesFlam. Liq. 3 (91.8%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 1993 3/PG 3
Zollcode29269090
RTECS-Nr.CY1820000
R-Sätze (R)10-20/21/22-36/37/38
GefahrensymboleXn,Xi
hazard_noteIrritant
Sicherheitshinweise (S)16-26-27-36/37/39
Gefahrenklasse3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
VerpackungsgruppeIII
Lagerklasse3 - Flammable liquids

Anwendungen & Verwendung

Verwenden

3-(Trifluoromethyl)phenylacetonitrile may be used in chemical synthesis studies.