Malonyldichlorid

Propanedioyl dichloride

HCID 74269CAS 1663-67-8

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Grundinformationen

Standard-SMILES: O=C(Cl)CC(=O)Cl
InChIKey: SXYFKXOFMCIXQW-UHFFFAOYSA-N
Summenformel: C3H2Cl2O2
Durchschnittliche Molmasse: 140,95 g/mol
Monoisotopische Masse: 139,94318466

Namen und Bezeichner

Bevorzugter Name: Propanedioyl dichloride
IUPAC: propanedioyl dichloride
Lokaler Name: Malonyldichlorid
Englischer Name: Malonyl chloride
Summenformel: C3H2Cl2O2
Molmasse: 140.95

Namen und Synonyme

Malonyl chlorideMalonyl dichloride1663-67-8Propanedioyl dichlorideMalonoyl chlorideMalonic acid dichlorideMalonic acid chlorideMalonoyl dichlorideEINECS 216-772-9NSC 66410DTXSID6061860RefChem:868981

Weitere Namen anzeigen

PROPANEDIOYL CHLORIDEMalonyl dichloridonyLProdipionylMalonylChloride>

DTXCID8035342216-772-9PDF3ZL8FTKMFCD00000735NSC-66410methane-1,1-dicarbonyl chloridemalonylchloridMalonylchloride

Datenbank-Bezeichner

CAS: 1663-67-8
PubChem CID: 74269
DTXSID: DTXSID6061860
UNII: PDF3ZL8FTK
EC Number: 216-772-9
Nikkaji: J7.548E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 87,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Siedepunkt: 53 · 53-55 °C/19 mmHg (lit.)
Dichte: 1.449 g/mL · 1.449 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 117 °F · 117 °F
storage temp.: 2 · 2-8°C
Löslichkeit: sol most organic solvents
Aggregatzustand: Liquid
pka: 6.86 · 6.86±0.46(Predicted)
Farbe: Clear yellow to orange to brown
Wasserlöslichkeit: decomposes
BRN: 774044 · 774044
InChI: InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2
InChIKey: SXYFKXOFMCIXQW-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CC(Cl)=O
CAS Datenbank: 1663 · 1663-67-8(CAS DataBase Reference)
NIST chemische Informationen: Malonyl dichloride(1663-67-8)
EPA chemische Informationen: Propanedioyl dichloride (1663-67-8)

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, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationMalonyl dichloride: Does not have an individual approval but may be used under an appropriate group standard

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

Sicherheitsdaten

F: 8-10
wgk: -
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29171990
risk_code: 14-34-29-10
hazard_code: C
safety_code: 26-36/37/39-45-16
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropanedioyl dichloride: ACTIVE

Anwendungen · 1 Eintrag

VerwendenMalonyl chloride can be used as a reactant for the synthesis of:Alkaloids with tetracyclic cores such as cyclopiamide A and speradine E.6-tetrathiafulvalene(TTF)-polymer by condensation polymerization with TTF-based dihydroxy monomer.N-doped TiO2 films by molecular layer deposition.Alkyne-substituted 1,3-oxazines by reaction with arylpropynamides.It can also be used as a coupling agent in the synthesis of block copolymers by anionic polymerization.