Allylchloroxoacetat

Allyl chlorooxoacetate

HCID 3018516CAS 74503-07-4

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Grundinformationen

Standard-SMILES: C=CCOC(=O)C(=O)Cl
InChIKey: HNOLIWBAJVIBOU-UHFFFAOYSA-N
Summenformel: C5H5ClO3
Durchschnittliche Molmasse: 148,54 g/mol
Monoisotopische Masse: 147,9927217

Namen und Bezeichner

Bevorzugter Name: Allyl chlorooxoacetate
IUPAC: prop-2-enyl 2-chloro-2-oxoacetate
Lokaler Name: Allylchloroxoacetat
Englischer Name: allyl chlorooxoacetate
Summenformel: C5H5ClO3
Molmasse: 148.54

Namen und Synonyme

Allyl chlorooxoacetateEINECS 277-900-7RefChem:554852277-900-774503-07-4allyl 2-chloro-2-oxoacetateprop-2-enyl 2-chloro-2-oxoacetateAcetic acid,2-chloro-2-oxo-, 2-propen-1-yl esterallyl oxalyl chlorideMFCD08274650allyloxyoxalyl chlorideProp-2-en-1-yl chloro(oxo)acetate

Weitere Namen anzeigen

Allyl oxalyl chloride 97%acylchloroenepropyl esterOxaloyl chloride allyl ester2-Propen-1-yloxy chloroacetateOxochloroacetic acid allyl esterOxalic acid monoallyl ester chloride

Acetic acid, 2-chloro-2-oxo-, 2-propen-1-yl esterAS-75986CTK5D9969allyl oxalochlorideAMY22116allyl chloroglyoxylateFT-0705370Allyl oxalyl chloride, 97%

Datenbank-Bezeichner

CAS: 74503-07-4
PubChem CID: 3018516
DTXSID: DTXSID90996004
EC Number: 277-900-7
Nikkaji: J349.414D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Siedepunkt: 50 · 50-51 °C(Press: 12 Torr)
Dichte: 1.213 g/mLat · 1.213g/mLat 25℃
Brechungsindex: 20 · n20/D 1.443
Flammpunkt: 56 °C · 56°C
Aggregatzustand: liquid
InChI: InChI=1S/C5H5ClO3/c1-2-3-9-5(8)4(6)7/h2H,1,3H2
InChIKey: HNOLIWBAJVIBOU-UHFFFAOYSA-N
SMILES: C(OCC=C)(=O)C(Cl)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2920 3(8) / PGII
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

BeschreibungAllyl chlorooxoacetate is a pharmaceutical intermediate compound for the preparation of Sulopenem, which is an orally active parenteral penem antibiotic used for the treatment of urinary tract infections and intra-abdominal infections caused by multi-drug resistance.