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Cas Database |
| Name |
3-Chloro-1,1-diethoxypropane |
EINECS | 252-623-4 |
| CAS No. | 35573-93-4 | Density | 0.988 g/cm3 |
| PSA | 18.46000 | LogP | 2.01440 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H15ClO2 | Boiling Point | 181.8 °C at 760 mmHg |
| Molecular Weight | 166.648 | Flash Point | 36.7 °C |
| Transport Information | UN 1989 3/PG 3 | Appearance | clear colourless to yellow liquid |
| Safety | 26-36-16 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi;  F
|
| Synonyms |
Propionaldehyde,3-chloro-, diethyl acetal (6CI,7CI);1-Chloro-3,3-diethoxypropane;3,3-Diethoxypropyl chloride;3-Chloropropanaldiethyl acetal;3-Chloropropionaldehyde diethyl acetal;NSC 60136;b-Chloropropanal diethyl acetal;b-Chloropropionaldehyde diethylacetal; |
Article Data | 26 |
3-Chloro-1,1-diethoxypropane Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogenchloride; calcium chloride at 0℃; for 24h; | 90% |
| With hydrogenchloride | |
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 25℃; Gleichgewicht und Geschwindigkeit der Bildung; |
- 89212-07-7
1,3-dichloro-1-ethoxy-propane
- 141-52-6
sodium ethanolate
- 35573-93-4
3-chloro-1,1-diethoxy-propane
- 107-02-8
acrolein
- 35573-93-4
3-chloro-1,1-diethoxy-propane
| Conditions | Yield |
|---|---|
| With hydrogenchloride | |
| With hydrogenchloride; calcium chloride | |
| With hydrogenchloride |
- 141645-16-1
2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran
- 35573-93-4
3-chloro-1,1-diethoxy-propane
- 1420181-01-6
(2-butyl-5-nitro-1-benzofuran-3-yl)[4-(3,3-diethoxypropoxy)phenyl]methanone
| Conditions | Yield |
|---|---|
| With potassium carbonate; sodium iodide for 6h; Reflux; | 99% |
- 98-03-3
thiophene-2-carbaldehyde
- 35573-93-4
3-chloro-1,1-diethoxy-propane
- 1258208-43-3
4,4-diethoxy-1-(thiophen-2-yl)butan-1-ol
| Conditions | Yield |
|---|---|
| Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃; Stage #2: thiophene-2-carbaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h; | 97% |
- 35573-93-4
3-chloro-1,1-diethoxy-propane
- 5779-95-3
3,5-dimethylbenzaldehyde
- 1258208-42-2
1-(3,5-dimethylphenyl)-4,4-diethoxybutan-1-ol
| Conditions | Yield |
|---|---|
| Stage #1: 3-chloro-1,1-diethoxy-propane With magnesium; ethylene dibromide In tetrahydrofuran at 15 - 25℃; Stage #2: 3,5-dimethylbenzaldehyde In tetrahydrofuran at -40 - 0℃; for 2.5h; | 97% |
3-Chloro-1,1-diethoxypropane Specification
The Propane,3-chloro-1,1-diethoxy-, with the CAS registry number 35573-93-4 and EINECS registry number 252-623-4, has the systematic name and IUPAC name of 3-chloro-1,1-diethoxypropane. It is a kind of clear clear colourless to yellow liquid, and the molecular formula of the chemical is C7H15ClO2.
The physical properties of Propane,3-chloro-1,1-diethoxy- are as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.8; (6)ACD/BCF (pH 7.4): 14.8; (7)ACD/KOC (pH 5.5): 239.52; (8)ACD/KOC (pH 7.4): 239.52; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 42.77 cm3; (15)Molar Volume: 168.5 cm3; (16)Polarizability: 16.95×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.988 g/cm3; (19)Flash Point: 36.7 °C; (20)Enthalpy of Vaporization: 40.09 kJ/mol; (21)Boiling Point: 181.8 °C at 760 mmHg; (22)Vapour Pressure: 1.14 mmHg at 25°C.
Preparation: This chemical can be prepared by propenal and ethanol. The reaction will need reagent HCl and CaCl2. The reaction time is 24 hours with temperature of 0°C, and the yield is about 90%.
Uses of cis-2-Phenyl-1,3-dioxan-5-ol: It can react with phosphorous acid triethyl ester to produce (3,3-Diaethoxy-propyl)-phosphonsaeure-diaethylester. And the yield is about 82%.
You should be cautious while dealing with this chemical. It is a kind of flammble chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC(OCC)OCC
(2)InChI: InChI=1/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3
(3)InChIKey: NXHONHDWVLPPCS-UHFFFAOYAN
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