1-Ethenyl-4-(trifluoromethyl)benzene

HCID 2782798CAS 402-50-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: C=Cc1ccc(C(F)(F)F)cc1
InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N
Summenformel: C9H7F3
Durchschnittliche Molmasse: 172,15 g/mol
Monoisotopische Masse: 172,04998471

Namen und Bezeichner

Bevorzugter Name: 1-Ethenyl-4-(trifluoromethyl)benzene
IUPAC: 1-ethenyl-4-(trifluoromethyl)benzene
Englischer Name: 4-(Trifluoromethyl)styrene
Summenformel: C9H7F3
Molmasse: 172.15

Namen und Synonyme

1-ethenyl-4-(trifluoromethyl)benzeneRefChem:432180625-856-8402-50-64-(Trifluoromethyl)styrene1-(trifluoromethyl)-4-vinylbenzene4-Trifluoromethylstyrene4-VinylbenzotrifluorideMFCD00075539Benzene, 1-ethenyl-4-(trifluoromethyl)-4-trifluoromethyl-styrene4-(Trifluoromethyl)styrene (stabilized with TBC)

Weitere Namen anzeigen

DK773-4-vinylbenzene4-(Trifluoromethyl)styrene 98%4-(TrifluoroMethyl)styrene, 98%, stab.4-(Trifluoromethyl)styrene, stabilizedBenzenepropanoicacid,5-methyl-β-oxo-,ethylester

SCHEMBL476560SCHEMBL12113013DTXSID50382303F20941p-trifluoromethylstyrene1-(trifluoromethyl)-4-vinyl-benzene4-trifluoromethystyreneFT-0649110

Datenbank-Bezeichner

CAS: 402-50-6
PubChem CID: 2782798
DTXSID: DTXSID50382303
EC Number: 625-856-8
Nikkaji: J634.299J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Siedepunkt: 65 · 65-66 °C40 mm Hg(lit.)
Dichte: 1.165 g/mL · 1.165 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.466(lit.)
Flammpunkt: 108 °F · 108 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 1863548 · 1863548
InChI: InChI=1S/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2
InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N
SMILES: C1(C=C)=CC=C(C(F)(F)F)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 43 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.