4'-Chlorpropiophenon

4'-Chloropropiophenone

HCID 22697CAS 6285-05-8

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Grundinformationen

Standard-SMILES: CCC(=O)c1ccc(Cl)cc1
InChIKey: ADCYRBXQAJXJTD-UHFFFAOYSA-N
Summenformel: C9H9ClO
Durchschnittliche Molmasse: 168,62 g/mol
Monoisotopische Masse: 168,03419259

Namen und Bezeichner

Bevorzugter Name: 4'-Chloropropiophenone
IUPAC: 1-(4-chlorophenyl)propan-1-one
Lokaler Name: 4'-Chlorpropiophenon
Englischer Name: 4'-Chloropropiophenone
Summenformel: C9H9ClO
Molmasse: 168.62

Namen und Synonyme

4'-Chloropropiophenonep-Chloropropiophenone4-Chloropropiophenone1-Propanone, 1-(4-chlorophenyl)-PROPIOPHENONE, 4'-CHLORO-Ethyl p-chlorophenyl ketonePropiophenone, p-chloro-Ethyl 4-chlorophenyl ketoneUSAF EK-52961-(4-Chlorophenyl)-1-propanoneDTXSID1048203NSC 5600

Weitere Namen anzeigen

1-(4-CHLOROPHENYL)PROPAN-2-ONEchloropropiophenone1-(4-CHLORO-PHENYL)-PROPAN-1-ONEusafek-5296AKOS B0285674-chlorophenone4 '-chloroacetoneART-CHEM-BB B028567

26AY8WJA1E1-(4-chlorophenyl)propane-1-oneNSC-5600EINECS 228-511-6UNII-26AY8WJA1EBRN 1100638AI3-23870DTXCID9028178

Datenbank-Bezeichner

CAS: 6285-05-8
PubChem CID: 22697
DTXSID: DTXSID1048203
ChEMBL: CHEMBL2251218
UNII: 26AY8WJA1E
EC Number: 228-511-6
Nikkaji: J34.493A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-37 °C(lit.)
Siedepunkt: 95 · 95-97 °C1 mm Hg(lit.)
Dichte: 1.151 · 1.151
Brechungsindex: 1.5325 · 1.5325-1.5345
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: Insoluble
BRN: 1100638 · 1100638
InChI: InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey: ADCYRBXQAJXJTD-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C=C1)(=O)CC
LogP: 2.4 · 2.4
CAS Datenbank: 6285 · 6285-05-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Propanone, 1-(4-chlorophenyl)-(6285-05-8)
EPA chemische Informationen: 1 · 1-Propanone, 1-(4-chlorophenyl)- (6285-05-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34022

1-Propanone, 1-(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29147000
RTECS-Nr.: UG9275000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
packing_group: II
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propanone, 1-(4-chlorophenyl)-: INACTIVE

Anwendungen

Verwenden4'-Chloropropiophenone is a chemical raw material and pharmaceutical intermediate with important application value. It has very important applications in modern pharmaceutical, chemical and biological fields.