2-Chlor-2-oxoethylacetat

Acetoxyacetyl chloride

HCID 26297

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Grundinformationen

CAS: 13831-31-7
Standard-SMILES: CC(=O)OCC(=O)Cl
InChIKey: HZDNNJABYXNPPV-UHFFFAOYSA-N
Summenformel: C4H5ClO3
Durchschnittliche Molmasse: 136,53 g/mol
Monoisotopische Masse: 135,9927217

Namen und Bezeichner

Bevorzugter Name: Acetoxyacetyl chloride
IUPAC: (2-chloro-2-oxoethyl) acetate
Lokaler Name: 2-Chlor-2-oxoethylacetat
Englischer Name: Acetoxyacetyl chloride
Summenformel: C4H5ClO3
Molmasse: 136.53

Namen und Synonyme

ACETOXYACETYL CHLORIDE13831-31-72-Chloro-2-oxoethyl acetateAcetyl chloride, 2-(acetyloxy)-2-Acetoxyacetyl chlorideAcetyl chloride, (acetyloxy)-Acetylglycoloyl chlorideZ4S19Y2F8SEINECS 237-542-4DTXSID20160579GLYCOLOYL CHLORIDE, ACETATERefChem:552434

Weitere Namen anzeigen

AcetoxyacetyLSKL1313Acetoxyl acetyl chloridAcetoxyacetyl chloride 97%Acetoxyacetyl chloride,97%

DTXCID2083070237-542-4Acetoxyacetylchloride(2-chloro-2-oxoethyl) acetateMFCD00011535(acetyloxy)acetyl chlorideacetoxyacetic acid chlorideUNII-Z4S19Y2F8S

Datenbank-Bezeichner

CAS: 13831-31-7
PubChem CID: 26297
DTXSID: DTXSID20160579
UNII: Z4S19Y2F8S
EC Number: 237-542-4
Nikkaji: J280.325I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 110

Experimentelle und physikochemische Eigenschaften

Physical DescriptionCorrosive liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 159 · 159-160 °C
Siedepunkt: 55 °C/12 · 55 °C/12 mmHg (lit.)
Dichte: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.428(lit.)
Flammpunkt: 160 °F · 160 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
Wichte: 1.27 · 1.270
Farbe: Clear colorless to pale yellow
Wasserlöslichkeit: Reacts with water violently.
InChI: InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
InChIKey: HZDNNJABYXNPPV-UHFFFAOYSA-N
SMILES: C(Cl)(COC(C)=O)=O
CAS Datenbank: 13831 · 13831-31-7(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]；H335 (86.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 11 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

Regulatory InformationStatus: Active Update: 24-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33754

Hazards SummaryCorrosive to skin; [Quick CPC] Reacts violently with water; A lachrymator that can cause skin burns; Inhalation of high concentrations can produce acute pneumonitis; [MSDSonline]

Hazard Classes and CategoriesSkin Corr. 1B (100%)；STOT SE 3 (86.8%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 24-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33754

Sicherheitsdaten

wgk: 3
tsca: N
ridadr: UN 3265 8/PG 2
hs_code: 29183000
risk_code: 14-34-36/37
hazard_code: C
hazard_note: Corrosive
safety_code: 23-26-27-36/37/39-45-8
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Anwendungen

VerwendenAcetoxyacetyl chloride was used in synthesis of stabilized axial and equatorial conformers of spiro-β-lactamsand glycolylhydroxamic acids.