1,2,3-Trifluor-5-nitrobenzol

1,2,3-Trifluoro-5-nitrobenzene

HCID 2782793

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Grundinformationen

CAS: 66684-58-0
Standard-SMILES: O=[N+]([O-])c1cc(F)c(F)c(F)c1
InChIKey: PTTUMBGORBMNBN-UHFFFAOYSA-N
Summenformel: C6H2F3NO2
Durchschnittliche Molmasse: 177,08 g/mol
Monoisotopische Masse: 177,00376296

Namen und Bezeichner

Bevorzugter Name: 1,2,3-Trifluoro-5-nitrobenzene
IUPAC: 1,2,3-trifluoro-5-nitrobenzene
Lokaler Name: 1,2,3-Trifluor-5-nitrobenzol
Englischer Name: 3,4,5-Trifluoronitrobenzene
Summenformel: C6H2F3NO2
Molmasse: 177.08

Namen und Synonyme

1,2,3-Trifluoro-5-nitrobenzene3,4,5-Trifluoronitrobenzene66684-58-0EINECS 266-447-0DTXSID40985261RefChem:410858DTXCID901412457266-447-01,2,3-trifluoro-5-nitro-benzeneMFCD004568033,4,5-trifluoro-nitrobenzeneBenzene, 1,2,3-trifluoro-5-nitro-

Weitere Namen anzeigen

3,4,5-Trifluoronitro5-TrifluoronitrobenzenePibrentasvir Impurity 175-Nitro-1,2,3-trifluorobenzene1-NITRO-3,4,5-TRIFLUOROBENZENE3,4,5-Trifluoronitrobenzene, 98.5%3,4,5-TRIFLUORO NITROBENZENE 99% MINIMUM

3,4,5-trifluronitrobenzeneSCHEMBL146415SCHEMBL2396663,4,5-trifluoronitro benzeneCS-D14183,4,5-Trifluoronitrobenzene, 97%CX1181SBB063657

Datenbank-Bezeichner

CAS: 66684-58-0
PubChem CID: 2782793
DTXSID: DTXSID40985261
EC Number: 266-447-0
Nikkaji: J310.134G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Siedepunkt: 208.6 · 208.6±35.0 °C(Predicted)
Dichte: 1.517 g/mL · 1.517 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.486(lit.)
Flammpunkt: 167 °F · 167 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Light yellow to Yellow to Orange
BRN: 2455018 · 2455018
InChI: InChI=1S/C6H2F3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey: PTTUMBGORBMNBN-UHFFFAOYSA-N
SMILES: C1(F)=CC([N+]([O-])=O)=CC(F)=C1F
CAS Datenbank: 66684 · 66684-58-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (84.8%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (84.8%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29049090
risk_code: 25
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 45
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3,4,5-Trifluoronitrobenzene is a nitrobenzene derivative that has been shown to be stable in the environment. 3,4,5-Trifluoronitrobenzene has been detected in environmental samples and is considered to be a potential pollutant. This compound is not expected to bioaccumulate significantly due to its low water solubility. The liquid crystal properties of 3,4,5-trifluoronitrobenzene are also studied for potential application in display technologies.