(chloromethoxy)ethane

• ChemBase ID: 145167
• Molecular Formular: C3H7ClO
• Molecular Mass: 94.54008
• Monoisotopic Mass: 94.01854252
• SMILES: CCOCCl
• Canonical SMILES: CCOCCl
• InChI: InChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3
• InChIKey: FCYRSDMGOLYDHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethoxy)ethane
• IUPAC Traditional name: chloromethyl ethyl ether
• Synonyms: Chloromethyl ethyl ether; (chloromethoxy)ethane; 氯甲基乙醚

Database IDs

• CAS Number: 3188-13-4
• EC Number: 221-687-5
• MDL Number: MFCD00000887
• PubChem SID: 162239377; 24848532
• PubChem CID: 18523

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0951144
• LogD (pH = 7.4): 1.0951144
• Log P: 1.0951144
• Molar Refractivity: 22.4005 cm^3
• Polarizability: 8.829159 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82 °C(lit.)
• Flash Point: 19 °C; 66.2 °F
• Density: 1.019 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.404(lit.)
• Hydrophobicity(logP): 0.954

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2354
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-36-40
• Safety Statements: 16-36/37
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H319-H332-H351
• GHS Precautionary statements: P210-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2354 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Impurities: ≤1% bis(chloromethyl) ether chloromethyl methyl ether
• Linear Formula: C2H5OCH2Cl

DETAILS

Sigma Aldrich - 142670

Packaging
25 g in glass bottle