5-Chlorpentan-2-on

2-Pentanone, 5-chloro-

HCID 79993CAS 5891-21-4

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Grundinformationen

Standard-SMILES: CC(=O)CCCCl
InChIKey: XVRIEWDDMODMGA-UHFFFAOYSA-N
Summenformel: C5H9ClO
Durchschnittliche Molmasse: 120,58 g/mol
Monoisotopische Masse: 120,03419259

Namen und Bezeichner

Bevorzugter Name: 2-Pentanone, 5-chloro-
IUPAC: 5-chloropentan-2-one
Lokaler Name: 5-Chlorpentan-2-on
Englischer Name: 5-Chloro-2-pentanone
Summenformel: C5H9ClO
Molmasse: 120.58

Namen und Synonyme

5-Chloro-2-pentanone5-Chloropentan-2-one5891-21-42-Pentanone, 5-chloro-1-Chloro-4-pentanone3-Chloropropyl methyl ketone2-Pentanone 5-chloro-NSC 8427EINECS 227-565-8NSC 60210AI3-08709DTXSID9064053

Weitere Namen anzeigen

oro-2-pentanoneChloro-2-pentan5-chloro -2-ketone5-chloro-2-pentanonChloropentanonetech-Chloro-2-pentanoneACETYLPROPYL CHLORIDE

XVRIEWDDMODMGA-UHFFFAOYSA-RefChem:477840DTXCID3042502227-565-8InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3MFCD000010085-chloro-pentan-2-oneNSC-8427

Datenbank-Bezeichner

CAS: 5891-21-4
PubChem CID: 79993
DTXSID: DTXSID9064053
UNII: V4XZG82VP5
EC Number: 227-565-8
Nikkaji: J24.223C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 61,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Siedepunkt: 71 · 71-72 °C/20 mmHg (lit.)
Dichte: 1.057 g/mL · 1.057 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.438(lit.)
Flammpunkt: 96 °F · 96 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Soluble in chloroform and methanol.
Aggregatzustand: Liquid
Wichte: 1.057 · 1.057
Farbe: Brown to black
BRN: 1098490 · 1098490
Stabilität: Volatile
InChI: InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey: XVRIEWDDMODMGA-UHFFFAOYSA-N
SMILES: CC(=O)CCCCl
CAS Datenbank: 5891 · 5891-21-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Pentanone, 5-chloro-(5891-21-4)
EPA chemische Informationen: 2 · 2-Pentanone, 5-chloro- (5891-21-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17385

5-Chloro-2-pentanone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (92.9%)

Sicherheitsdaten

F: 8-10
wgk: 3
tsca: TSCA listed
ridadr: UN 1224 3/PG 3
hs_code: 29147090
RTECS-Nr.: SA8143500
risk_code: 36/37/38-22-10
hazard_code: Xn,F
safety_code: 23-24/25-37/39-26-16
hazard_class: 3
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Pentanone, 5-chloro-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung5-Chloro-2-pentanone (5C2P) is an important organic reagent used as a pharmaceutical intermediate for the preparation of therapeutic anti-COVID-19 drugs. 5C2P is also used as a raw material for the synthesis of octamethol and related compounds. In chemical reactions, 5C2P can be cyclised with hydrazine. In conclusion, 5C2P and its derivatives have a wide range of applications in the pharmaceutical and agrochemical industries.

Verwenden5-Chloro-2-pentanone used in the preparation of destructible surfactants.