Pentafluorobenzene (HCID 9696)

Namen und Bezeichner

Bevorzugter Name: Pentafluorobenzene
IUPAC: 1,2,3,4,5-pentafluorobenzene
Lokaler Name: Pentafluorbenzol
Englischer Name: Pentafluorobenzene
Summenformel: C6HF5
Molmasse: 168.06

Namen und Synonyme

PENTAFLUOROBENZENE363-72-41,2,3,4,5-PentafluorobenzeneBenzene, pentafluoro-EINECS 206-658-7IH36LU53XSBenzene, 1,2,3,4,5-pentafluoro-NSC 88293NSC-88293DTXSID8059893363-88-2Benzene, pentafluoro

Weitere Namen anzeigen

48945Five fluorinePentafluorobenzolpentafluoro-benzenbenzene,pentafluoro-Pentafluorobenzene>Pentafluorobenzene,99%Pentafluorobenzene,98+%

RefChem:859801DTXCID4039154Benzene, 1,2,3,4,5pentafluoro206-658-7690-865-6C6HF5MFCD00000286UNII-IH36LU53XS

Datenbank-Bezeichner

CAS: 363-72-4、363-88-2
PubChem CID: 9696
DTXSID: DTXSID8059893
UNII: IH36LU53XS
EC Number: 206-658-7、690-865-6
Nikkaji: J40J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 125

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesCoriolis coupling

LogP2.53

Vapor Pressure67.6 [mmHg]

Physical DescriptionColorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: -48 °C · -48 °C (lit.)
Siedepunkt: 85 °C · 85 °C (lit.)
Dichte: 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.391(lit.)
Flammpunkt: 57 °F · 57 °F
storage temp.: room temp
Löslichkeit: 0.4 g/l · 0.4g/l
Aggregatzustand: liquid
Wichte: 1.514 · 1.514
Farbe: colorless
Wasserlöslichkeit: Insoluble in water.
BRN: 1911549 · 1911549
Henry's Law Constant: 7.5 · 7.5×10-4 mol/(m3Pa) at 25℃, Hiatt (2013)
Dielectric constant: 4.36 · 4.3600000000000003
Stabilität: Stable. Incompatible with strong oxidizing agents. Highly flammable.
InChI: 1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey: WACNXHCZHTVBJM-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(F)c(F)c1F
CAS Datenbank: 363 · 363-72-4(CAS DataBase Reference)
NIST chemische Informationen: Benzene, pentafluoro-(363-72-4)
EPA chemische Informationen: Pentafluorobenzene (363-72-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4.2% (1 of 24) of reports.

Danger

H225 (91.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 24 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory InformationPentafluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful if swallowed; [MSDSonline]

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 2 (91.7%)

Flam. Liq. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29036990
RTECS-Nr.: DA6651600
risk_code: 11-22-36/38-36/37/38-41-37/38-39/23/24/25-23/24/25
hazard_code: F,Xn,Xi,T
hazard_note: Flammable
safety_code: 26-37/39-16-39-45-36/37-7
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,2,3,4,5-pentafluoro-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenPentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte.