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CAS No.: | 97-97-2 |
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Name: | Chloroacetaldehyde dimethyl acetal |
Molecular Structure: | |
Formula: | C4H9ClO2 |
Molecular Weight: | 124.567 |
Synonyms: | Acetaldehyde,chloro-, dimethyl acetal (6CI,7CI,8CI);1,1-Dimethoxy-2-chloroethane;1-Chloro-2,2-dimethoxyethane;2-Chloro-1,1-dimethoxyethane;2-Chloroacetaldehyde dimethyl acetal;Chloroacetaldehyde dimethyl acetal;NSC60388; |
EINECS: | 202-624-0 |
Density: | 1.046 g/cm3 |
Melting Point: | -73 °C |
Boiling Point: | 127.499 °C at 760 mmHg |
Flash Point: | 28.889 °C |
Solubility: | water: 52 g/L (20 °C) |
Appearance: | clear colorless to yellowish liquid |
Hazard Symbols: | Xn,F |
Risk Codes: | 10-22-52/53-20/21/22-40-36/37/38 |
Safety: | 28A-26-16-36-23 |
Transport Information: | UN 1989 3/PG 3 |
PSA: | 18.46000 |
LogP: | 0.84410 |
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The Ethane,2-chloro-1,1-dimethoxy-, with CAS registry number 97-97-2, belongs to the following product category: Pharmaceutical Intermediates. It has the systematic name of 2-chloro-1,1-dimethoxy-ethane. This chemical is a kind of clear colorless to yellowish liquid. This chemical should be stored in cool, dry place.
Physical properties of Ethane,2-chloro-1,1-dimethoxy-: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.342; (4)ACD/LogD (pH 7.4): 0.342; (5)ACD/BCF (pH 5.5): 1.072; (6)ACD/BCF (pH 7.4): 1.072; (7)ACD/KOC (pH 5.5): 36.582; (8)ACD/KOC (pH 7.4): 36.582; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.4; (14)Molar Refractivity: 28.879 cm3; (15)Molar Volume: 119.049 cm3; (16)Polarizability: 11.448×10-24cm3; (17)Surface Tension: 25.095 dyne/cm; (18)Enthalpy of Vaporization: 35.017 kJ/mol; (19)Vapour Pressure: 13.494 mmHg at 25°C.
The main use of this chemical is for pharmaceutical intermediates. This chemical is prepared by acetaldehyde. Firstly, you should add the acetaldehyde into carbinol. At the temperature of 38-40℃, put the chlorine in it. At the temperature of 40-43℃, this reaction lasts 3 hours, then lower the temperature at 25-30℃. Second, use the lime to neutralization, and wait for delamination, the upper is the Ethane,2-chloro-1,1-dimethoxy-.
When you are using this chemical, please be cautious about it as the following:
The Ethane,2-chloro-1,1-dimethoxy- is flammable, so keep it away from sources of ignition. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is also harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It has limited evidence of a carcinogenic effect. This chemical 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.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(CCl)OC
(2)InChI: InChI=1/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
(3)InChIKey: CRZJPEIBPQWDGJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
(5)Std. InChIKey: CRZJPEIBPQWDGJ-UHFFFAOYSA-N