dichloro(methoxy)methane

• ChemBase ID: 103185
• Molecular Formular: C2H4Cl2O
• Molecular Mass: 114.95856
• Monoisotopic Mass: 113.96392011
• SMILES: COC(Cl)Cl
• Canonical SMILES: COC(Cl)Cl
• InChI: InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3
• InChIKey: GRTGGSXWHGKRSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methoxy)methane
• IUPAC Traditional name: dichloromethyl methyl ether
• Synonyms: α,α-Dichloromethyl methyl ether; Dichloromethyl methyl ether; Dichloromethyl methyl ether; 1,1-Dichlorodimethyl ether; Dichloromethyl methyl ether; α,α-DICHLOROMETHYL METHYL ETHER; Dichloro(methoxy)methane; α,α-二氯甲基甲醚; 1,1-二氯二甲醚; 二氯甲基甲醚

Database IDs

• CAS Number: 4885-02-3
• EC Number: 225-498-9
• MDL Number: MFCD00000828
• Beilstein Number: 1900293
• PubChem SID: 24862077; 162090601; 24894035
• PubChem CID: 21004
• Chemspider ID: 19757
• Wikipedia Title: Dichloromethyl_methyl_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4646809
• LogD (pH = 7.4): 1.4646809
• Log P: 1.4646809
• Molar Refractivity: 22.691 cm^3
• Polarizability: 8.981047 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85 °C(lit.); 85°C
• Flash Point: 21°C; 22 °C; 71.6 °F; 72 °F
• Density: 1.271 g/ml; 1.271 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.431; n20/D 1.431(lit.)

Safety Information

• Storage Condition: 2-8°C
• RTECS: KN8150000
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 2924; 2929
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 2; II
• Australian Hazchem: 3WE
• Risk Statements: 10-20/22-34-37; R:10-25-36
• Safety Statements: 26-36/37/39-45; S:16-26-28-29-36/37/39-45
• EU Classification: TF1
• EU Hazard Identification Number: 6.1A
• Emergency Response Guidebook(ERG) Number: 131
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302 + H332-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: Cl2CHOCH3

DETAILS

MP Biomedicals - 02150869

Used to prepare amino acid chlorides from the corresponding acetylated amino acid.

Sigma Aldrich - D65658

Packaging
25, 100 g in glass bottle
Application
Common formylating reagent for aromatic compounds,1 chlorinating agent for carboxylic acids,2 and reactant with borinic esters for the preparation of alkenones.3