2-chloro-1,1-dimethoxyethane

• ChemBase ID: 104939
• Molecular Formular: C4H9ClO2
• Molecular Mass: 124.56606
• Monoisotopic Mass: 124.02910721
• SMILES: COC(CCl)OC
• Canonical SMILES: ClCC(OC)OC
• InChI: InChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
• InChIKey: CRZJPEIBPQWDGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,1-dimethoxyethane
• IUPAC Traditional name: 2-chloro-1,1-dimethoxyethane
• Synonyms: 2-chloro-1,1-dimethoxyethane; 2-Chloro-1,1-dimethoxyethane; Dimethyl chloroacetal; Chloroacetaldehyde dimethyl acetal; CADMA; Chloroacetaldehyde dimethyl acetal; 2-Chloro-1,1-dimethoxy-ethane; DIMETHYL CHLOROACETAL; 2-氯-1,1-二甲氧基乙烷; 二甲基氯乙缩醛; 氯乙醛缩二甲醇; 氯乙醛二甲基缩醛

Database IDs

• CAS Number: 97-97-2
• EC Number: 202-624-0
• MDL Number: MFCD00000948
• Beilstein Number: 1733700
• PubChem SID: 24892451; 162091744; 24853654; 24846856
• PubChem CID: 60986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0679418
• LogD (pH = 7.4): 1.0679418
• Log P: 1.0679418
• Molar Refractivity: 28.1369 cm^3
• Polarizability: 11.397487 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-73°C
• Boiling Point: 128-130 °C(lit.); 128-130°C
• Flash Point: 28°C(82°F); 29 °C; 84.2 °F
• Density: 1.094; 1.094 g/ml; 1.094 g/mL at 25 °C(lit.)
• Refractive Index: 1.4150; n20/D 1.415; n20/D 1.415(lit.)

Safety Information

• Storage Condition: 0°C, Desiccate
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1989; UN1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/22-52/53; 10-22-52/53
• Safety Statements: 23-36-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H412; H301-H332-H226-H402-H412
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P273
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1989 3/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99.0% (GC); 98%
• Grade: produced by Wacker; purum
• Linear Formula: ClCH2CH(OCH3)2

DETAILS

MP Biomedicals - 02157806

1 ml = approx. 1.10 g

Sigma Aldrich - C19406

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 10906

Other Notes
prices for bulk quantities on request
Packaging
1 kg in glass bottle

Sigma Aldrich - 22779

Other Notes
Masked chloroacetaldehyde; prep. of 2-(chloromethyl)-1,3-dithiolane1

REFERENCES

• Precursor of methoxyacetylene; cf preceding entry and Ethoxyacetylene, A14245.