Perfluortoluol

PERFLUOROTOLUENE · OctafL · Octafluortoluol · Octaflurotoluene · octafluoro-toluen · OCTAFLUOROTOLUENE · 0ctafluorotoluene · toluene,octafluoro-

Identifikatoren & physikalische Daten

CAS No.	434-64-0
Summenformel	C7F8
Durchschnittliche Molmasse	236,06 g/mol
Monoisotopische Masse	235,98722576 g/mol
SMILES	Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIKey	USPWUOFNOTUBAD-UHFFFAOYSA-N
PubChem CID	9906
ChEMBL	CHEMBL455799
EC No.	207-104-7
DTXSID	DTXSID1059993
Lokaler Name	Perfluortoluol

XLogP	3,3
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	0
Schwere Atome	15
Formalladung	0
Komplexität	210
Stoffklassen	Other Classes -> Halogenated Monoaromatics
SpringerMaterials Properties	Boiling point
LogP (Verteilungskoeffizient)	3.0
Dampfdruck	29.0 [mmHg]
Physical Description	Colorless liquid[Alfa Aesar MSDS]
Schmelzpunkt	-65.6 °C
Siedepunkt	104 °C (lit.)
Dichte	1.666 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.368(lit.)
Flammpunkt	69 °F
Lagerbedingungen	Flammables area
Löslichkeit	Chloroform (Soluble), Methanol (Slightly)
Aggregatzustand	A liquid
Farbe	Colourless
Wichte	1.666
Spezifische Wärmekapazität	Cp(liquid): 1.11 J/(g·K), at 25℃
BRN	2057072
InChI	1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKey	USPWUOFNOTUBAD-UHFFFAOYSA-N
SMILES	Fc1c(F)c(F)c(c(F)c1F)C(F)(F)F
CAS Datenbank	434-64-0(CAS DataBase Reference)
NIST chemische Informationen	Benzene, pentafluoro(trifluoromethyl)-(434-64-0)
EPA chemische Informationen	Octafluorotoluene (434-64-0)

GHS-Einstufung	DangerH225 (100%): Highly Flammable liquid and vapor [Danger 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, P316, 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenübersicht	Causes changes in recordings from specific areas of the CNS and convulsions in inhalation lethal-concentration studies of rats[RTECS] A skin and strong eye irritantToxic by ingestion and inhalation[Alfa Aesar MSDS]
Hazard Classes and Categories	Flam. Liq. 2 (100%)
Unerwünschte Wirkungen	Neurotoxin - Other CNS neurotoxin
Toxicity Data	LC50 (rat) = 2,700 mg/m3/4hr
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 1993 3/PG 2
Zollcode	29039990
RTECS-Nr.	XT3530000
R-Sätze (R)	11-36/37/38-36/38-20/22
Toxizität	LCLo ihl-mus: 5000 ppm/10M ANASAB 19,167,64
Gefahrensymbole	F,Xi,Xn
hazard_note	Flammable
Sicherheitshinweise (S)	16-26
Gefahrenklasse	3Acute Tox. 3 InhalationAcute Tox. 4 OralFlam. Liq. 2
Verpackungsgruppe	II
Lagerklasse	3 - Flammable liquids