5-Chloro-2-fluorobenzoyl chloride

HCID 2773604CAS 394-29-6

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cc(Cl)ccc1F
InChIKey: VWGAATKTEAKOCO-UHFFFAOYSA-N
Summenformel: C7H3Cl2FO
Durchschnittliche Molmasse: 193 g/mol
Monoisotopische Masse: 191,9544983

Namen und Bezeichner

Bevorzugter Name: 5-Chloro-2-fluorobenzoyl chloride
IUPAC: 5-chloro-2-fluorobenzoyl chloride
Englischer Name: 5-Chloro-2-fluorobenzoyl chloride
Summenformel: C7H3Cl2FO
Molmasse: 193

Namen und Synonyme

5-Chloro-2-fluorobenzoyl chloride394-29-6DTXSID70378586RefChem:102304DTXCID10329613623-605-72-fluoro-5-chlorobenzoyl chlorideMFCD016314335-Chloro-2-fluoro-benzoyl chloride5-chloro-2-fluorobenzoylchlorideBenzoyl chloride, 5-chloro-2-fluoro-Z2D3PLQ39T

Weitere Namen anzeigen

SKL1303BUTTPARK 45\01-10Chlorofluorobenzoylchloride 52---5-Chloro-2-fluorobenzoyl chloride 97%5-Chloro-2-fluorobenzoyl chloride, 97+%

SCHEMBL284068SCHEMBL303495843-chloro-6-fluorobenzoyl chlorideVWGAATKTEAKOCO-UHFFFAOYSA-NSBB069730AKOS0052544065-Chloro-2-fluorobenzoyl chloride, 97%PS-10779

Datenbank-Bezeichner

CAS: 394-29-6
PubChem CID: 2773604
DTXSID: DTXSID70378586
UNII: Z2D3PLQ39T
EC Number: 623-605-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 217 · 217-218 °C(lit.)
Dichte: 1.459 g/mL · 1.459 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.5545(lit.)
Flammpunkt: 230 °F · >230 °F
Aggregatzustand: fused / liquid solid
Farbe: Pale yellow
BRN: 3247304 · 3247304
InChI: 1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKey: VWGAATKTEAKOCO-UHFFFAOYSA-N
SMILES: Fc1ccc(Cl)cc1C(Cl)=O
CAS Datenbank: 394 · 394-29-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.