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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 36,7
Experimentelle und physikochemische Eigenschaften
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
- storage temp.
- Flammables area
- Löslichkeit
- 52 g/l · 52g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- PH
- 3.4 · 3.4 (10g/l, H2O, 20℃)
- Explosionsgrenze
- 2.3 % · 2.3%(V)
- Wasserlöslichkeit
- 52 g/L · 52 g/L (20 ºC)
- BRN
- 1733700 · 1733700
- Henry's Law Constant
- 3.2 · 3.2×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
- InChIKey
- CRZJPEIBPQWDGJ-UHFFFAOYSA-N
- SMILES
- COC(CCl)OC
- LogP
- 0.605 · 0.605 (est)
- CAS Datenbank
- 97 · 97-97-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Ethane, 2-chloro-1,1-dimethoxy-(97-97-2)
- EPA chemische Informationen
- 2 · Ethane, 2-chloro-1,1-dimethoxy- (97-97-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
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
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
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
- hazard_code
- Xn,F
- safety_code
- 28A-26-16-36-23
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
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
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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