Dimethylmalonyl Dichloride

HCID 4523180CAS 5659-93-8

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Grundinformationen

Standard-SMILES: CC(C)(C(=O)Cl)C(=O)Cl
InChIKey: CJXQAYQWVNXIQE-UHFFFAOYSA-N
Summenformel: C5H6Cl2O2
Durchschnittliche Molmasse: 169 g/mol
Monoisotopische Masse: 167,9744848

Namen und Bezeichner

Bevorzugter Name: Dimethylmalonyl Dichloride
IUPAC: 2,2-dimethylpropanedioyl dichloride
Englischer Name: DIMETHYLMALONYL CHLORIDE
Summenformel: C5H6Cl2O2
Molmasse: 169.01

Namen und Synonyme

Dimethylmalonyl DichlorideRefChem:588572628-043-6Dimethylmalonyl chloride5659-93-82,2-dimethylpropanedioyl Dichloridedimethylmalonylchloride2,2-Dimethylmalonic acid dichlorideDimethylmalonylchloridPropanedioyl dichloride, 2,2-dimethyl-DimethylmalonylDichlorideMFCD00192081

Weitere Namen anzeigen

2,2-diMethylMalonyl dichlorideDiMethylMalonyl chloride 98%Dimethylmalonyl Dichloride >2,2-dimethylpropanedioyl dichlorideDIMETHYLMALONYL CHLORIDE ISO 9001：2015 REACH

SCHEMBL808933Dimethylmalonyl chloride, 98%DTXSID60403917DIMETHYLPROPANEDIOYL DICHLORIDEPropanedioyl dichloride, dimethyl-dimethylmalonic acid dichloridedimethyl malonyl chloride2,2-Dimethylmalonyl chloride

Datenbank-Bezeichner

CAS: 5659-93-8
PubChem CID: 4523180
DTXSID: DTXSID60403917
EC Number: 628-043-6
Nikkaji: J980.522B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 135

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index915.3

Physikochemische Eigenschaften

Siedepunkt: 60 °C10 · 60 °C10 mm Hg(lit.)
Dichte: 1.278 g/mL · 1.278 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.451(lit.)
Flammpunkt: 125 °F · 125 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
BRN: 774374 · 774374
InChI: 1S/C5H6Cl2O2/c1-5(2,3(6)8)4(7)9/h1-2H3
InChIKey: CJXQAYQWVNXIQE-UHFFFAOYSA-N
SMILES: CC(C)(C(Cl)=O)C(Cl)=O
CAS Datenbank: 5659 · 5659-93-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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 40 reports by companies from 2 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.