2,3,4,5-Tetrafluorobenzoyl chloride

HCID 2733689CAS 94695-48-4

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cc(F)c(F)c(F)c1F
InChIKey: XWCKIXLTBNGIHV-UHFFFAOYSA-N
Summenformel: C7HClF4O
Durchschnittliche Molmasse: 212,53 g/mol
Monoisotopische Masse: 211,96520521

Namen und Bezeichner

Bevorzugter Name: 2,3,4,5-Tetrafluorobenzoyl chloride
IUPAC: 2,3,4,5-tetrafluorobenzoyl chloride
Englischer Name: 2,3,4,5-Tetrafluorobenzoyl chloride
Summenformel: C7HClF4O
Molmasse: 212.53

Namen und Synonyme

2,3,4,5-Tetrafluorobenzoyl chloride94695-48-4DTXSID30369975EC 619-058-9RefChem:81250DTXCID10321011619-058-92,3,4,5-tetrafluorobenzoylchlorideC7HClF4OBenzoyl chloride, 2,3,4,5-tetrafluoro-tetrafluorobenzoyl chlorideMFCD00075164

Weitere Namen anzeigen

SKL1307Moxifloxacin Impurity 862,3,4,5-Tetrafluorobenzoyl2,3,4,5-TETRAFLUORBENZOYLCHLORID2,3,4,5-TETRAFLUOROBEZOYL CHLORIDE2,3,4,5-Tetrafluorboenzoyl Chloride2,3,4,5-Tetrafluorobenzoylchloride98%

2,3,4,5-tetrafluoro benzoyl chloride2,3,4,5-tetrafluorobenzoic acid chloride2,3,4,5- Tetrafluorobenzoyl chloride2,3,4,5-tetrafluoro-benzoyl chlorideM5RD6UU23USCHEMBL345016orb29394252,3,4,5-tetrafluorobenzoyl chlorde

Datenbank-Bezeichner

CAS: 94695-48-4
PubChem CID: 2733689
DTXSID: DTXSID30369975
UNII: M5RD6UU23U
EC Number: 619-058-9
Nikkaji: J795.485I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 213

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Siedepunkt: 65 · 65-66°C 10mm
Dichte: 1.58 g/mL · 1.58 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4787(lit.)
Flammpunkt: 194 °F · 194 °F
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 1.58 · 1.580
BRN: 5266860 · 5266860
InChI: InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKey: XWCKIXLTBNGIHV-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC(F)=C(F)C(F)=C1F
CAS Datenbank: 94695 · 94695-48-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Danger

H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 07-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27789

Hazard Classes and CategoriesSkin Corr. 1B (97.9%)

Sicherheitsdaten

F: 10-19-21
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29163990
risk_code: 34-37-36/37
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-25
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden2,3,4,5-Tetrafluorobenzoyl chloride was used in the preparation of 4-hydroxy-1-(3-pyridyl)-1-butanone-tetrafluorobenzoate. It was also used in the synthesis of N-[(4-carbamoylphenyl)carbamothioyl]-2,3,4,5-tetrafluorobenzamide.