2-Chlor-1,1-dimethoxyethan

2-Chloro-1,1-dimethoxyethane

HCID 60986CAS 97-97-2

Grundinformationen

Standard-SMILES
COC(CCl)OC
InChIKey
CRZJPEIBPQWDGJ-UHFFFAOYSA-N
Summenformel
C4H9ClO2
Durchschnittliche Molmasse
124,56 g/mol
Monoisotopische Masse
124,02910721

Namen und Bezeichner

Bevorzugter Name
2-Chloro-1,1-dimethoxyethane
IUPAC
2-chloro-1,1-dimethoxyethane
Lokaler Name
2-Chlor-1,1-dimethoxyethan
Englischer Name
Chloroacetaldehyde dimethyl acetal
Summenformel
C4H9ClO2
Molmasse
124.57

Namen und Synonyme

97-97-2Chloroacetaldehyde dimethyl acetal2-Chloro-1,1-dimethoxyethaneETHANE, 2-CHLORO-1,1-DIMETHOXY-Dimethyl chloracetalChloroacetaldehyde, dimethyl acetal1-chloro-2,2-dimethoxyethane2-Chloroacetaldehyde, dimethyl acetalAcetaldehyde, chloro-, dimethyl acetal2-Chloroacetaldehyde dimethyl acetal1KPA4H9T182,2-DIMETHOXYETHYL CHLORIDE
Weitere Namen anzeigen
CADMADIMETHYL CHLOROACETALoroacetaLMETHYL CHLOROACETALChloroacetaldehyde dSagrelate impurity 8
EINECS 202-624-0NSC 60388NSC-603881,1-dimethoxy-2-chloroethaneDTXSID1059157EC 202-624-0RefChem:468210DTXCID0049028

Datenbank-Bezeichner

CAS
97-97-2
PubChem CID
60986
DTXSID
DTXSID1059157
UNII
1KPA4H9T18
EC Number
202-624-0
Nikkaji
J24.188A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
18,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density1.4150 @ 20°C
Boiling Point127.5 °C @760 [mm Hg]

Physikochemische Eigenschaften

Schmelzpunkt
-73 °C · -73 °C
Siedepunkt
128 · 128-130 °C(lit.)
Dichte
1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
Dampfdruck
54 · 54-449hPa at 50-100℃
Brechungsindex
20 · n20/D 1.415(lit.)
Flammpunkt
84 °F · 84 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 94 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Ethane, 2-chloro-1,1-dimethoxy-

Status: Active Update: 01-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17184

Chloroacetaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard

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

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.79 [mg/m3]

8.7 [mg/m3]

52 [mg/m3]

Sicherheitsdaten

F
1
wgk
2
tsca
TSCA listed
ridadr
UN 1989 3/PG 3
hs_code
29110000
risk_code
10-22-52/53-20/21/22-40-36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthane, 2-chloro-1,1-dimethoxy-: ACTIVE

Anwendungen

VerwendenChloroacetaldehyde dimethyl acetal can be used as a reactant to synthesize:2-(chloromethyl)-4,7-dethyl-1,3-dioxepane2-(chloromethyl)-5,6-benzo-1,3-dioxepane ketene dimethyl acetal

Darstellung · 1 Eintrag

synthetischeChloroacetaldehyde dimethyl acetal is obtained by the stoichiometric reaction of vinyl acetate and chlorine in the presence of excess methanol. The specific steps are as follows:186 ml (172 g = 2.0 mol) of vinyl acetate and 142 g (2.0 mol) of chlorine were simultaneously introduced into 324 ml of methanol with stirring and cooling at 0 ° to 2 ° within 1 hour. Then 50 ml of low boilers were distilled off over a 50 cm Vigreux column, then 19.8 g of an intermediate run of a batch which had been carried out in the same way were added, and finally 34 g of calcium oxide were added with stirring and cooling at 40 ° -50 ° C. within 30 minutes. After neutralization was complete, the reaction mixture was in the form of two separate liquid phases. After the layers had been separated off, the upper layer obtained was fractionated, 88 g of the forerunner, which mainly comprised methyl acetate and methanol, 19.8 g of the intermediate run, which mainly contained methanol, chloroacetaldehyde, chloroacetaldehyde mono and dimethylacetal, and the main fraction was 223.1 g of chloroacetaldehyde dimethylacetal ds 89.5% d. Th. Were obtained. If the lower layer formed after the calcium oxide addition is shaken twice with 100 ml of methyl acetate each time and the combined organic phases are distilled, 92.1% of theory. Th. Chloroacetaldehyde dimethyl acetal obtained.

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