Ethyldichloracetat

Ethyl dichloroacetate

HCID 10808CAS 535-15-9

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Grundinformationen

Standard-SMILES: CCOC(=O)C(Cl)Cl
InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N
Summenformel: C4H6Cl2O2
Durchschnittliche Molmasse: 156,99 g/mol
Monoisotopische Masse: 155,97448479

Namen und Bezeichner

Bevorzugter Name: Ethyl dichloroacetate
IUPAC: ethyl 2,2-dichloroacetate
Lokaler Name: Ethyldichloracetat
Englischer Name: ETHYL DICHLOROACETATE
Summenformel: C4H6Cl2O2
Molmasse: 157

Namen und Synonyme

ETHYL DICHLOROACETATEAcetic acid, 2,2-dichloro-, ethyl esterAI3-28936EINECS 208-611-6NSC 27788DTXSID7060205RefChem:138911DTXCID4041448208-611-6InChI=1/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1HIWYBVQLPTCMVFO-UHFFFAOYSA-N535-15-9

Weitere Namen anzeigen

DICHLOROACETIC ACID ETHYL ESTERETHYL DICHLOROACETATE FOR SYNTHESISNSC 6748EthyldichloracetatRARECHEM AL BI 0385ethyl 1,1-dichloroacetate

Ethyl 2,2-dichloroacetateAcetic acid, dichloro-, ethyl esterDichloroacetic acid, ethyl esterEthyl dichloroethanoateGZT46P7R49MFCD00018858NSC-27788Ethyldichloroacetate

Datenbank-Bezeichner

CAS: 535-15-9
PubChem CID: 10808
DTXSID: DTXSID7060205
UNII: GZT46P7R49
EC Number: 208-611-6
Nikkaji: J133.516B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 82,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Siedepunkt: 54 · 54-55 °C11 mm Hg(lit.)
Dichte: 1.28 g/mL · 1.28 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.438
Flammpunkt: 62 °C · 62 °C
Aggregatzustand: liquid
Farbe: Clear, colourless
BRN: 773995 · 773995
Dielectric constant: 10 · 10.0(22℃)
InChI: 1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Cl)Cl
EPA chemische Informationen: Acetic acid, dichloro-, ethyl ester (535-15-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Acetic acid, dichloro-, ethyl ester

Ethyl dichloroacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 2915907098
risk_code: 20/21-36/37
hazard_code: Xn
safety_code: 23-26-36
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalEye Irrit. 2STOT SE 3