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CAS No.: | 3587-58-4 |
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Name: | CHLOROMETHYL ISO-PROPYL ETHER |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4H9ClO |
Molecular Weight: | 108.568 |
Synonyms: | Ether,chloromethyl isopropyl (6CI,7CI,8CI);Propane,2-(chloromethoxy)-;Isopropoxymethyl chloride;Isopropyl chloromethyl ether;2-Chloromethoxy-propane;Chloromethyli-propylether; |
Density: | 0.963 g/cm3 |
Boiling Point: | 86.512 °C at 760 mmHg |
Flash Point: | 21.356 °C |
Risk Codes: | 11 |
Safety: | 9-16-33 |
PSA: | 9.23000 |
LogP: | 1.60770 |
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The Chloromethyl isopropyl ether, with the CAS registry number 3587-58-4, is also known as 2-Chloromethoxy-propane. This chemical's molecular formula is C4H9ClO and molecular weight is 108.57. What's more, its systematic name is 2-(chloromethoxy)propane.
Physical properties of Chloromethyl isopropyl ether are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/KOC (pH 5.5): 87; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.397; (11)Molar Refractivity: 27.133 cm3; (12)Molar Volume: 112.686 cm3; (13)Surface Tension: 23.004 dyne/cm; (14)Density: 0.963 g/cm3; (15)Flash Point: 21.356 °C; (16)Enthalpy of Vaporization: 31.323 kJ/mol; (17)Boiling Point: 86.512 °C at 760 mmHg; (18)Vapour Pressure: 74.367 mmHg at 25°C.
Uses of Chloromethyl isopropyl ether: it can be used to produce 2,2-dichloro-3-isopropoxy-propionaldehyde at the temperature of 30 - 35 °C. It will need solvent ethyl acetate with the reaction time of 30 min. This reaction will also need catalyst ZnCl2. The yield is about 74%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. You need keep the container in a well-ventilated place. You must take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)OCCl
(2)InChI: InChI=1S/C4H9ClO/c1-4(2)6-3-5/h4H,3H2,1-2H3
(3)InChIKey: GSGPUGZLDGHFDO-UHFFFAOYSA-N