Name: CHLOROMETHYL PROPYL ETHER
SKU: 3587-57-3

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Basic Information

Molecular Structure:
CAS No.:	3587-57-3
Name:	CHLOROMETHYL PROPYL ETHER
Article Data:	19

Formula:	C₄H₉ClO
Molecular Weight:	108.568
Synonyms:	Ether,chloromethyl propyl (6CI,7CI,8CI);Chloromethyl propyl ether;Propoxymethylchloride;Propyl chloromethyl ether;
Density:	0.967 g/cm³
Boiling Point:	94.023 °C at 760 mmHg
Flash Point:	25.185 °C
Risk Codes:	11
Safety:	9-16-33
Transport Information:	UN 3271
PSA:	9.23000
LogP:	1.60930

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Specification

The Propane, 1-(chloromethoxy)-, with the CAS registry number 3587-57-3, is also known as Chloromethyl propyl ether. This chemical's molecular formula is C₄H₉ClO and molecular weight is 108.57. What's more, its systematic name is 1-(Chloromethoxy)propane. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should avoid contact with light. Besides, it can be prepared by the reaction of Paraformaldehyde, Propyl alcohol and Hydrogen chloride.

Physical properties about Propane, 1-(chloromethoxy)- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 109; (8)ACD/KOC (pH 7.4): 109; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.399; (14)Molar Refractivity: 27.175 cm³; (15)Molar Volume: 112.31 cm³; (16)Polarizability: 10.773×10^-24 cm³; (17)Surface Tension: 24.318 dyne/cm; (18)Density: 0.967 g/cm³; (19)Flash Point: 25.185 °C; (20)Enthalpy of Vaporization: 31.991 kJ/mol; (21)Boiling Point: 94.023 °C at 760 mmHg; (22)Vapour Pressure: 54.93 mmHg at 25 °C.

Uses of Propane, 1-(chloromethoxy)-: it is used to produce other chemicals. For example, it is used to produce 1-Propoxymethylimidazol. The reaction needs reagent C₂H₅ONa and solvent Ethanol. The reaction time is 3 hours with reaction temperature of 40 °C. The yield is about 70 %.

Propane, 1-(chloromethoxy)- can react with 1H-Imidazole to get 1-Propoxymethylimidazol.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition. What's more, it must be placed in a well-ventilated place. Besides, you should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCOCCC
(2) InChI: InChI=1/C4H9ClO/c1-2-3-6-4-5/h2-4H2,1H3
(3) InChIKey: VHUQXPJHMISKGS-UHFFFAOYAN