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107-30-2

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Basic Information
CAS No.: 107-30-2
Name: Methane, chloromethoxy-
Molecular Structure:
Molecular Structure of 107-30-2 (Methane, chloromethoxy-)
Formula: C2H5ClO
Molecular Weight: 80.52
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: FlammableF, ToxicT
Risk Codes: 45-11-20/21/22
Safety: 53-45
Transport Information: UN 1239
PSA: 9.23000
LogP: 0.82910
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Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 1 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 131.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 4 , 1974,p. 239.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 4 , 1974,p. 239.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory. Community Right-To-Know List. EPA Extremely Hazardous Substances List.

Standards and Recommendations

OSHA PEL: OSHA: Cancer Suspect Agent
ACGIH TLV: Suspected Human Carcinogen
DFG MAK: Human Carcinogen
NIOSH REL: (Methyl Chloromethyl Ether) TWA use 29 CFR 1910.1006
DOT Classification:  6.1; Label: Poison, Flammable Liquid

Analytical Methods

For occupational chemical analysis use OSHA: #10.

Specification

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.