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CAS No.: | 107-30-2 |
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Name: | Chloromethyl methyl ether |
Article Data: | 87 |
Molecular Structure: | |
Formula: | C2H5ClO |
Molecular Weight: | 80.5141 |
Synonyms: | Ether,chloromethyl methyl (6CI,8CI);Chlorodimethyl ether;Chloromethoxymethane;Chloromethyl methyl ether;Methoxychloromethane;Methoxymethyl chloride;Methylchloromethyl ether;Monochlorodimethyl ether;Monochlorodimethylene ether;Monochloromethyl methyl ether;NSC 21208;NSC 93873; |
EINECS: | 203-480-1 |
Density: | 1.06 g/cm3 |
Melting Point: | -103 ºC |
Boiling Point: | 59 °C at 760 mmHg |
Flash Point: | 15 ºC |
Solubility: | Decomposes in water |
Appearance: | colorless or light yellow liquid |
Hazard Symbols: | F, T |
Risk Codes: | 45-11-20/21/22 |
Safety: | 53-45 |
Transport Information: | UN 1239 |
PSA: | 9.23000 |
LogP: | 0.82910 |
The IUPAC name of Chloromethyl methyl ether is chloro(methoxy)methane. With the CAS registry number 107-30-2, it is also named as alpha,alpha-Dichlorodimethyl ether. The product's categories are Alcohol & Phenol & Ethers. It is colorless or light yellow liquid with irritating odor which is soluble in ethanol, acetone, ethylbenzene, benzene and chloroform, and decomposes in water. In addition, this chemical may be ignited by heat, sparks, or flames. When buring, it will produce toxic chloride fumes. So the storage environment should be ventilate, low-temperature and dry. Keep Chloromethyl methyl ether separate from oxidant.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.78; (8)ACD/KOC (pH 7.4): 28.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.369; (13)Molar Refractivity: 17.9 cm3; (14)Molar Volume: 79.2 cm3; (15)Polarizability: 7.09×10-24 cm3; (16)Surface Tension: 21 dyne/cm; (17)Enthalpy of Vaporization: 28.91 kJ/mol; (18)Vapour Pressure: 218 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 80.002892; (21)MonoIsotopic Mass: 80.002892; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 4; (24)Complexity: 10.
Preparation of Chloromethyl methyl ether: It can be obtained by the reaction of methanol, trioxymethylene and hydrogen chloride.
3CH3OH+(CH2O)3+3HCl→3ClCH2OCH3+3H2O
Uses of Chloromethyl methyl ether: It is used as an alkylating agent and industrial solvent to manufacture dodecylbenzyl chloride, water repellents, ion-exchange resins, polymers, and as a chloromethylation reagent. And it can react with 2-(4-methoxy-phenyl)-1(3)H-imidazo[4,5-b]pyridine to get 4-methoxymethyl-2-(4-methoxy-phenyl)-4H-imidazo[4,5-b]pyridine. This reaction needs reagent dimethylformamide and solvent acetonitrile by heating. The reaction time is 4.0 hours. The yield is 96 %.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation, in contact with skin and if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid exposure - obtain special instructions before use.
People can use the following data to convert to the molecule structure.
1. Smiles:C(OC)Cl
2. InChI:InChI=1/C2H5ClO/c1-4-2-3/h2H2,1H3
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
hamster | LC50 | inhalation | 65ppm/7H (65ppm) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA BLOOD: HEMORRHAGE | Archives of Environmental Health. Vol. 30, Pg. 61, 1975. |
mouse | LC50 | inhalation | 1030mg/m3/2H (1030mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 89, 1982. | |
rat | LC50 | inhalation | 55ppm/7H (55ppm) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA BLOOD: HEMORRHAGE | Archives of Environmental Health. Vol. 30, Pg. 61, 1975. |