2,4'-Dichloracetophenon

2,4'-Dichloroacetophenone

HCID 70298CAS 937-20-2

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Grundinformationen

Standard-SMILES: O=C(CCl)c1ccc(Cl)cc1
InChIKey: FWDFNLVLIXAOMX-UHFFFAOYSA-N
Summenformel: C8H6Cl2O
Durchschnittliche Molmasse: 189,04 g/mol
Monoisotopische Masse: 187,97957017

Namen und Bezeichner

Bevorzugter Name: 2,4'-Dichloroacetophenone
IUPAC: 2-chloro-1-(4-chlorophenyl)ethanone
Lokaler Name: 2,4'-Dichloracetophenon
Englischer Name: 2,4'-Dichloroacetophenone
Summenformel: C8H6Cl2O
Molmasse: 189.04

Namen und Synonyme

2,4'-Dichloroacetophenone937-20-22-chloro-1-(4-chlorophenyl)ethanone4-Chlorophenacyl chlorideEthanone, 2-chloro-1-(4-chlorophenyl)-p-Chlorophenacyl chlorideZXE9VA3E38.alpha.-Chloro-p-chloroacetophenoneDTXSID50239540EINECS 213-323-9NSC-41669NSC 41669

Weitere Namen anzeigen

2,4-chlorobenzophenoneà,4-dichloroacetophenone2,4'-Dichloroacetopheone4',α-Dichloroacetophenoneα,4'-Dichloroacetophenone4-CHLOROAPHENACYL CHLORIDE4-Chlorophenylacyl chloride2-Chloro-4Chloroacetophenone

CHLOROMETHYL 4-CHLOROPHENYL KETONE1-(4-CHLOROPHENYL)-2-CHLOROETHANONERefChem:442658alpha-Chloro-p-chloroacetophenoneDTXCID00162031213-323-9InChI=1/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2-chloro-1-(4-chlorophenyl)ethan-1-one

Datenbank-Bezeichner

CAS: 937-20-2
PubChem CID: 70298
DTXSID: DTXSID50239540
ChEMBL: CHEMBL143090
UNII: ZXE9VA3E38
EC Number: 213-323-9
Nikkaji: J265.443A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-102 °C(lit.)
Siedepunkt: 270 °C · 270 °C(lit.)
Dichte: 1.2979 · 1.2979 (rough estimate)
Brechungsindex: 1.564 · 1.5640 (estimate)
Flammpunkt: 270 °C · 270°C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 637861 · 637861
InChI: InChI=1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: FWDFNLVLIXAOMX-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1)CCl
CAS Datenbank: 937 · 937-20-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4′-Dichloroacetophenone (4-chlorophenacyl chloride) may be used in the synthesis of chiral chlorohydrin by asymmetric reduction., It may be used as an alkylating agent in the Williamson reaction of 7-hydroxycoumarins to form substituted oxoethers.