Dichloromethane CAS#: 75-09-2; ChemWhat Code: 1006800
Identification
| Product Name | Dichloromethane |
| IUPAC Name | dichloromethane |
| Molecular Structure |  |
| CAS Registry Number | 75-09-2 |
| EINECS Number | 200-838-9 |
| MDL Number | MFCD00000881 |
| Beilstein Registry Number | 1730800 |
| Synonyms | DICHLOROMETHANE Methylene chloride 75-09-2 Methylene dichloride Methane, dichloro- Methylene bichloride Methane dichloride Solaesthin Solmethine Narkotil Freon 30 Aerothene MM Metylenu chlorek Chlorure de methylene Dichlormethan Metaclen Soleana VDA Khladon 30 CH2Cl2 F 30 (chlorocarbon) Methylenum chloratum R30 (refrigerant) RCRA waste number U080 Caswell No. 568 dichloro-methane NCI-C50102 R 30 HCC 30 Chloride, Methylene Bichloride, Methylene Dichloride, Methylene HSDB 66 CCRIS 392 dichlormethane Methoklone Methylenchlorid Salesthin NSC 406122 UN 1593 dichloro methane Chlorodorm D F 30 EINECS 200-838-9 UNII-588X2YUY0A EPA Pesticide Chemical Code 042004 BRN 1730800 588X2YUY0A DTXSID0020868 CHEBI:15767 AI3-01773 Methylene chloride [NF] NSC-406122 Dichloromethane, HPLC Grade DTXCID40868 EC 200-838-9 4-01-00-00035 (Beilstein Handbook Reference) MFCD00000881 NSC406122 Methylene chloride (NF) DICHLOROMETHANE (IARC) DICHLOROMETHANE [IARC] DICHLOROMETHANE (MART.) DICHLOROMETHANE [MART.] METHYLENE CHLORIDE (II) METHYLENE CHLORIDE [II] Metylenu chlorek [Polish] METHYLENE CHLORIDE (EP MONOGRAPH) METHYLENE CHLORIDE [EP MONOGRAPH] Methylene chloride; Dichloromethane; DCM MFCD00000882 Chlorure de methylene [French] Dichloromethane (Methylene Chloride) UN1593 DICHLOROMETHANE, NF RCRA waste no. U080 DICHLOROMETHANE, ACS dichioromethane dichlormetane dichloromeihane dichlorometan dichlorometane dichloromethan dichoromethane dicloromethane methylenchoride metylenchloride Aerothene Driverit Nevolin dichlor-methane dichlorometliane dichlorornethane dicliloromethane methylenchloride methylenechlorid methYIenechlorid di-chloromethane dichloromethane- methlyenechloride methylenechloride methlene chloride methyene chloride methylen chloride methylene chlorie methylene cloride metylene chloride Methylene choride mehtylene chloride methlyene chloride methylene,chloride methylene-chloride dichloro -methane dichloro- methane methylenedichloride Distillex DS3 Dichloromethane, ACS reagent, >=99.5%, contains 40-150 ppm amylene as stabilizer |
| Molecular Formula | CH2Cl2 |
| Molecular Weight | 84.93 |
| InChI | InChI=1S/CH2Cl2/c2-1-3/h1H2 |
| InChI Key | YMWUJEATGCHHMB-UHFFFAOYSA-N |
| Isomeric SMILES | C(Cl)Cl |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN113979916 | Synthesis method of polyhalogenated azaspirocyclohexadienone compound | 2022 |
| CN115368371 | Chiral triazine heterocyclic ring screwing 1, 4-benzodiazep-2-ketone compound and preparation method of chiral triazine heterocyclic ring screwing 1, 4-benzodiazep-2-ketone compound | 2022 |
| CN113429330 | Method for preparing 2-pyrrolidone derivative through three-component tandem cyclization reaction under copper catalysis | 2021 |
| CN110818673 | Synthetic method of cyclic methylene disulfonate | 2020 |
| CN111116363 | Preparation method of carboxylic ester compounds | 2019 |
Physical Data
| Appearance | Transparent liquid,no visible impurities |
| Acidity(as acetic acid),%(m/m) | ≤0.0004 |
| Evaporated Residue,%(m/m) | ≤0.0005 |
| Chroma APHA (Pt-Co) | 10 |
| Melting Point, °C |
| -96.66 |
| -97 |
| -96.7 |
| 217 – 219 |
| -95.15 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 39.6 | |
| 32 | 585.239 |
| 39.6 | 760.051 |
| 40 | |
| 40.1 | 724.572 |
| Density, g·cm-3 | Measurement Temperature, °C |
| 2.093 | -173.16 |
| 1.2972 | 34.99 |
| 1.33 | |
| 1.3165 | 24.84 |
| 0.0013216 | 24.99 |
| Description (Association (MCS)) | Temperature (Association (MCS)), °C |
| Adsorption isotherm | 19.84 |
| Adsorption and desorption isotherms | 24.84 |
| Adsorption and desorption isotherms | 24.84 |
| Adsorption isotherm |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C |
| Chemical shifts, Spectrum | 1H | [D3]acetonitrile | |
| Spectrum | 1H | dimethylsulfoxide-d6 | |
| NMR with shift reagents, Spectrum | 1H | chloroform-d1 | 24.84 |
| NMR with shift reagents, Spectrum | 1H | chloroform-d1 | 34.84 |
| NMR with shift reagents, Spectrum | 1H | chloroform-d1 | 44.84 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum | |
| Bands, Spectrum | |
| Bands | neat (no solvent) |
| ATR (attenuated total reflectance), Bands, Spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) |
| Spectrum | |
| UV two-photon absorption, Spectrum | |
| Spectrum | N,N-dimethyl-formamide |
| Spectrum | water |
| Spectrum | neat liquid |
Route of Synthesis (ROS)
Route of Synthesis (ROS) of Dichloromethane CAS 75-09-2
| Conditions | Yield |
| With sodium hydroxide In dimethyl sulfoxide at 50 -100℃; for 5.5h; Reagent/catalyst; Temperature; Microwave irradiation; Experimental Procedure 110ml DMSO, 30 ml methylene chloride and 56g of sodium hydroxide were added into 500ml three-necked flask, heated by microwave heating to 50°C, 27.5g of catechol dissolved in 110 ml DMSO solution were added dropwise, the temperature control system was not exceeds 100° C for 5 hours. After dropwise addition, 20ml of dichloromethane was added dropwise, maintained at 90 °C for half an hour, cooled to room temperature, filtered to remove sodium chloride, 400ml water was added, dichloromethane and pepper ring were separated using oil separator, recovered water was started to distill, the distilled aqueous phase was extracted with appropriate amount of dichloromethane, the extracted aqueous phase was recycled at a distillation temperature of 100 deg.C, DMSO was recovered by distillation, the recovered DMSO can be recycled. About 10g remained. The oil-water separation was carried out to give the organic phase ring 36g, purity 97% gas, more than 95% yield. | 95% |
| In 1-methyl-pyrrolidin-2-one Reagent/catalyst; Experimental Procedure Repeat the preparation of the catalyst in Example 1, add 62.63 g of the compound alkali prepared above to the four-necked bottle, the composite base contains 59.63 g of inorganic base (potassium carbonate, magnesium oxide, the mass ratio of potassium silicate and barium chloride is 45: 1/2: 1/2: 2 × 10-6) and 3 g sodium methoxide composite catalyst, and 128.89 g NMP (1.300 mol) is added, during the dropwise addition of catechol solution, 44.23g (0.402mol) and 129.26g NMP (1.304mol) and 140.14g dichloromethane (1.650mol) were added. Add 64.53g (0.760mol) of methylene chloride, a total of 47.07g of benzodioxole (0.385mol) was synthesized by gas chromatography, and 0.37g of catechol remained unreacted. The calculated conversion rate of catechol is 99.16%, the selectivity of benzodioxole is 95.49%, and the synthesis yield is 94.69%. | 94.69% |
| With sodium hydroxide In dimethyl sulfoxide at 90 -120℃; for 0.5h; Temperature; Solvent; Reagent/catalyst; Experimental Procedure 440 ml of DMSO,Dichloromethane 120 ml, 230 g of sodium hydroxide was charged into a 2-liter three-necked flask, Heating up to 95 ° C, A solution of 110 g of catechol dissolved in 440 ml of DMSO was initially added dropwise to control the temperature of the system not to exceed 120 ° C, Dropping 3 to 4 hours, After dropping and dropping 90 ml of dichloromethane, Dripping at 110 ~ 115 reflux insulation for half an hour, Cooled to room temperature, Filtered to remove sodium chloride, Add water 400ml, The residual methylene chloride and pepper rings were separated using an oil-water separator, Separated from the basic no obvious oil phase distillation out, Began to recycle water,The distilled water phase was extracted with an appropriate amount of dichloromethane, The extracted aqueous phase can be recycled. Distilled to a top temperature of 100 ° C, Start switching the distillation to recover DMSO, Recovered DMSO can be recycled, Remnant about 90g. Oil and water separation to get organic phase pepper ring 129g, Gas purity of 97% Yield 85.4%. | 85.4% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H351: Suspected of causing cancer [Warning Carcinogenicity] |
| Precautionary Statement Codes | P203, P280, P318, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
No data available
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 84.9329 |
| logP | 1.519 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 0 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Quantitative Results | ||
| 1 of 1,199 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | METHOD FOR STORING QUATERNARY AMMONIUM SALT | |
| 2 of 1,199 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Cyclopentano (h) or (f) 1,2,3,4-tetrahydroisoquinolines | |
| 3 of 1,199 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Analgesic N-[2-(furyl-methylamino and 2-thienylmethylamino)cycloaliphatic]be | |
| 4 of 1,199 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Sulfur-substituted phenoxypyridines having antiviral activity | |
| 5 of 1,199 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | PROCESS FOR PREPARING 1,2,5-THIADIAZOLES | |
| 6 of 1,199 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | PROTEASE INHIBITORS |
| Use Pattern |
| METHYLENE CHLORIDE used in a medicine and pestcide intermediates. And it is used to decaffeinate coffee and tea,as well as to prepare extracts of hops and other flavorings. And olvent in production of antibiotics, vitamin,film footage,aerosols. METHYLENE CHLORIDE used in the production of flame retardant series products. |
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