Perfluortoluol

Octafluorotoluene

HCID 9906

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Grundinformationen

CAS: 434-64-0
Standard-SMILES: Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIKey: USPWUOFNOTUBAD-UHFFFAOYSA-N
Summenformel: C7F8
Durchschnittliche Molmasse: 236,06 g/mol
Monoisotopische Masse: 235,98722576

Überblick

derivatizing agent for steroids in human plasma

Namen und Bezeichner

Bevorzugter Name: Octafluorotoluene
IUPAC: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
Lokaler Name: Perfluortoluol
Englischer Name: OCTAFLUOROTOLUENE
Summenformel: C7F8
Molmasse: 236.06

Namen und Synonyme

OCTAFLUOROTOLUENE434-64-0PerfluorotolueneToluene, octafluoro-(Trifluoromethyl)pentafluorobenzenePentafluorobenzotrifluoride4EFB94M9FVBenzene, 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)-NSC-88302RefChem:167723207-104-71,2,3,4,5-Pentafluoro-6-(trifluoromethyl)benzene

Weitere Namen anzeigen

OctafLOctafluortoluolOctaflurotolueneoctafluoro-toluen0ctafluorotoluenetoluene,octafluoro-Perfluorotoluene 98%

Benzene, pentafluoro(trifluoromethyl)-MFCD00000375C7F8DTXSID1059993Octafluorotoluene, 98%UNII-4EFB94M9FV2,3,4,5,6-pentafluoro-1-(trifluoromethyl)benzeneSCHEMBL308464

Datenbank-Bezeichner

CAS: 434-64-0
PubChem CID: 9906
DTXSID: DTXSID1059993
ChEMBL: CHEMBL455799
UNII: 4EFB94M9FV
EC Number: 207-104-7
Nikkaji: J48.035E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 210

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesBoiling point

LogP3.0

Vapor Pressure29.0 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -65.6 °C · -65.6 °C
Siedepunkt: 104 °C · 104 °C (lit.)
Dichte: 1.666 g/mL · 1.666 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.368(lit.)
Flammpunkt: 69 °F · 69 °F
storage temp.: Flammables area
Löslichkeit: Chloroform (Soluble), Methanol (Slightly)
Aggregatzustand: A liquid
Farbe: Colourless
Wichte: 1.666 · 1.666
Spezifische Wärmekapazität: 1.11 J/ · Cp(liquid): 1.11 J/(g·K), at 25℃
BRN: 2057072 · 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 · 434-64-0(CAS DataBase Reference)
NIST chemische Informationen: Benzene, pentafluoro(trifluoromethyl)-(434-64-0)
EPA chemische Informationen: Octafluorotoluene (434-64-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (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.

Gefahrenhinweise

Hazards SummaryCauses changes in recordings from specific areas of the CNS and convulsions in inhalation lethal-concentration studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion and inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity DataLC50 (rat) = 2,700 mg/m3/4hr

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29039990
RTECS-Nr.: XT3530000
risk_code: 11-36/37/38-36/38-20/22
Toxizität: LCLo ihl-mus: 5000 ppm/10M ANASAB 19,167,64
hazard_code: F,Xi,Xn
hazard_note: Flammable
safety_code: 16-26
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 OralFlam. Liq. 2