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Chloroacetaldehyde diethyl acetal

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Name

Chloroacetaldehyde diethyl acetal

EINECS 210-695-4
CAS No. 621-62-5 Density 1.018g/cm3
PSA 18.46000 LogP 1.62430
Solubility 1.8 g/L (20 °C ) Melting Point -45 °C
Formula C6H13ClO2 Boiling Point 157.4 °C at 760 mmHg
Molecular Weight 152.621 Flash Point 29.4 °C
Transport Information UN 1993 Appearance Clear, colorless liquid.
Safety 28A-26-16-36-23-7/9 Risk Codes 10-22-36/37/38
Molecular Structure Molecular Structure of 621-62-5 (Chloroacetaldehyde diethyl acetal) Hazard Symbols IrritantXi; HarmfulXn
Synonyms

Acetaldehyde,chloro-, diethyl acetal (6CI,7CI,8CI);1-Chloro-2,2-diethoxyethane;2-Chloro-1,1-diethoxyethane;2-Chloroacetaldehyde diethyl acetal;Chloroacetaldehyde diethyl acetal;Chloroethanal diethyl acetal;Diethoxyethylchloride;Monochloroacetaldehyde diethyl acetal;NSC 8436;

Article Data 46

Chloroacetaldehyde diethyl acetal Synthetic route

64-17-5

ethanol

623-46-1

1,2-dichloro-2-ethoxyethane

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
With sodium ethanolate at 20℃; for 1h; Cooling with ice; Green chemistry;96.7%
107-20-0

2-chloroethanal

64-17-5

ethanol

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
With toluene-4-sulfonic acid In chloroform Reflux; Large scale;93%
108-05-4

vinyl acetate

64-17-5

ethanol

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
With chlorine at 1 - 4℃; for 2h; Chlorination; Acetalization;64%
With chlorine im Dunkeln unter Kuehlung mit CO2-Aceton;
With chlorine im Dunkeln unter Kuehlung mit CO2-Aceton;
100-64-1

Cyclohexanone oxime

A

371-89-1

chlorofluorocyclohexane

B

2108-92-1

1,1-dichlrocyclohexane

C

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
With hydrogen fluoride; chlorine In ethanol at -10℃; for 4h;A 59%
B 32%
C n/a
64-17-5

ethanol

75-07-0

acetaldehyde

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
Stage #1: acetaldehyde With chlorine Chlorination;
Stage #2: ethanol With calcium chloride at 20 - 30℃; for 4h; Acetalization;
48%
105-57-7

diethyl acetal

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
beim Chlorieren;
beim Chlorieren;
With chlorine Versetzen des Reaktionsgemisches mit Natriumaethylat bei 50grad;
10140-87-1

1,2-dichloroethyl acetate

64-17-5

ethanol

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
at 55℃;
64-17-5

ethanol

75-01-4

chloroethylene

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
With chlorine
64-17-5

ethanol

75-35-4

1,1-Dichloroethylene

141-52-6

sodium ethanolate

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
at 40 - 50℃;
64-17-5

ethanol

928-56-3

E/Z-2-chlorovinyl ethyl ether

621-62-5

chloroacetaldehyde diethyl acetal

Conditions
ConditionsYield
With sulfuric acid
With hydrogenchloride

Chloroacetaldehyde diethyl acetal Specification

The Ethane,2-chloro-1,1-diethoxy-, with CAS registry number 621-62-5, belongs to the following product category: Pharmaceutical Intermediates. It has the systematic name of Ethane, 2-chloro-1,1-diethoxy-. This chemical is a kind of clear colourless to slightly yellowish liquid. And this chemical can be prepared by the chlorination of Acetaldehyde diethylacetal. And the main use of this chemical is for organic intermediate.

Physical properties of Ethane,2-chloro-1,1-diethoxy-: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.415; (10)Molar Refractivity: 38.14 cm3; (11)Molar Volume: 152 cm3; (12)Polarizability: 15.12×10-24cm3; (13)Surface Tension: 26.8 dyne/cm; (14)Enthalpy of Vaporization: 37.79 kJ/mol; (15)Vapour Pressure: 3.57 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce ethoxyethyne. This reaction will need reagents Fe(NO3)3.9H2O, NH3 liquid, Na. The reaction time is 30 min with reaction temperature of -80 ℃. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
The Ethane,2-chloro-1,1-diethoxy- is flammable, so keep it away from sources of ignition. This chemical is harmful if swallowed. And it also irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.And you should keep its container tightly closed and in a well-ventilated place.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(OCC)OCC
(2)InChI: InChI=1/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
(3)InChIKey: OVXJWSYBABKZMD-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
(5)Std. InChIKey: OVXJWSYBABKZMD-UHFFFAOYSA-N

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