1-chloro-2-methoxyethane

• ChemBase ID: 123390
• Molecular Formular: C3H7ClO
• Molecular Mass: 94.54008
• Monoisotopic Mass: 94.01854252
• SMILES: ClCCOC
• Canonical SMILES: COCCCl
• InChI: InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3
• InChIKey: XTIGGAHUZJWQMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-methoxyethane
• IUPAC Traditional name: ethane, 1-chloro-2-methoxy-
• Synonyms: 1-chloro-2-methoxyethane; 2-Methoxyethyl chloride; 2-Chloroethyl methyl ether; 1-Chloro-2-methoxyethane; 2-甲氧基氯乙烷; 2-氯乙基甲基醚; 2-氯乙基 甲基 醚

Database IDs

• CAS Number: 627-42-9
• EC Number: 210-999-7
• MDL Number: MFCD00000972
• Beilstein Number: 1731028
• PubChem SID: 24854552; 162217743; 24853805
• PubChem CID: 12316

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.78903925
• LogD (pH = 7.4): 0.78903925
• Log P: 0.78903925
• Molar Refractivity: 22.3558 cm^3
• Polarizability: 8.821635 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 89-90 °C(lit.); 89-90°C
• Flash Point: 10 °C; 50 °F; 8°C(46°F)
• Density: 1.035 g/mL at 25 °C(lit.); 1.04
• Refractive Index: 1.4090; n20/D 1.408; n20/D 1.408(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 3271; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22; 11-20/22
• Safety Statements: 36/37; 9-16-33-36-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H332; H225-H302-H312-H332
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 2

Product Information

• Purity: ≥97.5% (GC); 98%
• Grade: purum
• Linear Formula: ClCH2CH2OCH3

DETAILS

Sigma Aldrich - 242349

Packaging
100 g in glass bottle
5 g in ampule