Methyl-3-chlor-3-oxopropionat

Methyl malonyl chloride

HCID 123460CAS 37517-81-0

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Grundinformationen

Standard-SMILES: COC(=O)CC(=O)Cl
InChIKey: UTBCRHAMJFMIIR-UHFFFAOYSA-N
Summenformel: C4H5ClO3
Durchschnittliche Molmasse: 136,53 g/mol
Monoisotopische Masse: 135,9927217

Namen und Bezeichner

Bevorzugter Name: Methyl malonyl chloride
IUPAC: methyl 3-chloro-3-oxopropanoate
Lokaler Name: Methyl-3-chlor-3-oxopropionat
Englischer Name: Methyl malonyl chloride
Summenformel: C4H5ClO3
Molmasse: 136.53

Namen und Synonyme

Methyl malonyl chloride37517-81-0methyl 3-chloro-3-oxopropanoateMethyl 3-chloro-3-oxopropionateUAT3SX9MTDPropanoic acid, 3-chloro-3-oxo-, methyl esterEINECS 253-540-6AI3-51039DTXSID40190959Propanoic acid, 3-chloro-2-oxo-, methyl esterRefChem:817838DTXCID30113450

Weitere Namen anzeigen

AURORA KA-3053TwoMethylchlorideMehtyl Malonyl ChlorideMethylMalonylChloride>METHYL CHLOROFORMYLACETATEMethyl malonyl chloride 97%Methyl malonyl chloride,97%Methylemalonyl chloride, 97%Methyl chlorocarbonylacetate

253-540-6MFCD00013657Methyl chloroformylacetateMethyl (Chloroformyl)acetate3-Chloro-3-oxopropionic Acid Methyl Ester(Chloroformyl)acetic Acid Methyl Estermethyl 3-chloro-3-oxo-propanoateM2315

Datenbank-Bezeichner

CAS: 37517-81-0
PubChem CID: 123460
DTXSID: DTXSID40190959
UNII: UAT3SX9MTD
EC Number: 253-540-6
Nikkaji: J261.191K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
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

Physikochemische Eigenschaften

Siedepunkt: 57 · 57-59 °C/12 mmHg (lit.)
Dichte: 1.273 g/mL · 1.273 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.432(lit.)
Flammpunkt: 176 °F · 176 °F
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Chloroform, Ethyl Acetate
pka: 9.33 · 9.33±0.46(Predicted)
Aggregatzustand: Liquid
Farbe: Colorless
Wichte: 1.275 · 1.275
Wasserlöslichkeit: Reacts with water.
BRN: 1754078 · 1754078
InChI: 1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
InChIKey: UTBCRHAMJFMIIR-UHFFFAOYSA-N
SMILES: COC(=O)CC(Cl)=O
CAS Datenbank: 37517 · 37517-81-0(CAS DataBase Reference)
NIST chemische Informationen: Methyl malonyl chloride(37517-81-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPropanoic acid, 3-chloro-3-oxo-, methyl ester: 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 CategoriesSkin Corr. 1B (100%)