4-Fluorophenylacetyl chloride

HCID 3744988CAS 459-04-1

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Grundinformationen

Standard-SMILES: O=C(Cl)Cc1ccc(F)cc1
InChIKey: SIOJFYRPBYGHOO-UHFFFAOYSA-N
Summenformel: C8H6ClFO
Durchschnittliche Molmasse: 172,58 g/mol
Monoisotopische Masse: 172,0091207

Namen und Bezeichner

Bevorzugter Name: 4-Fluorophenylacetyl chloride
IUPAC: 2-(4-fluorophenyl)acetyl chloride
Englischer Name: 4-Fluorophenylacetyl chloride
Summenformel: C8H6ClFO
Molmasse: 172.58

Namen und Synonyme

4-Fluorophenylacetyl chloride459-04-12-(4-fluorophenyl)acetyl chlorideDTXSID30395835RefChem:523459DTXCID20346694628-331-14-fluorophenylacetylchloride4-fluorophenacetyl chloride4-fluorobenzeneacetyl chlorideMFCD00674181(4-Fluorophenyl)acetyl chloride

Weitere Namen anzeigen

SKL1297Of fluorobenzene chloride4-fluorophenylacethyl chloride4-fluorobenzencacetyl chloride4-FLUOROPHENYLACETYL CHLORIDE 99%

p-fluorophenylacetyl chloride4-fluoro phenylacetyl chlorideBenzeneacetyl chloride, 4-fluoro-4fluorophenylacetyl chlorideSCHEMBL108765(4-fluorophenyl)acetylchloride4-fluorophenyl acetyl chloride4-fluorophenyl-acetyl chloride

Datenbank-Bezeichner

CAS: 459-04-1
PubChem CID: 3744988
DTXSID: DTXSID30395835
EC Number: 628-331-1
Nikkaji: J1.785.550F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-48
Siedepunkt: 60 °C/8 · 60 °C/8 mmHg (lit.)
Dichte: 1.259 g/mL · 1.259 g/mL at 25 °C (lit.)
Brechungsindex: 1.511 · 1.511-1.513
Flammpunkt: 107 °C · 107 °C
storage temp.: 2 · 2-8°C
Löslichkeit: Miscible with dichloromethane.
Aggregatzustand: Liquid
Wichte: 1.259 · 1.259
Farbe: Clear yellow
BRN: 972148 · 972148
InChI: 1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: SIOJFYRPBYGHOO-UHFFFAOYSA-N
SMILES: Fc1ccc(CC(Cl)=O)cc1
CAS Datenbank: 459 · 459-04-1(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 (86.7%): 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 45 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (86.7%)

Sicherheitsdaten

wgk: 3
ridadr: 3265
hs_code: 29163990
risk_code: 34-29-14
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 45-36/37/39-26-27
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden4-Fluorophenylacetyl chloride is used as an acylating agent in organic synthesis. It is used to prepare monoacylated pyrazolidine by reacting with pyrazolidine. It is also used in the preparation of N-acyl isothiouronium chloride.