1-chloro-2-ethoxyethane

• ChemBase ID: 151147
• Molecular Formular: C4H9ClO
• Molecular Mass: 108.56666
• Monoisotopic Mass: 108.03419259
• SMILES: CCOCCCl
• Canonical SMILES: ClCCOCC
• InChI: InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3
• InChIKey: GPTVQTPMFOLLOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-ethoxyethane
• IUPAC Traditional name: 2-chloroethylether
• Synonyms: 2-Ethoxyethyl chloride; 2-Chloroethyl ethyl ether; 1-Chloro-2-ethoxyethane; 2-乙氧基氯乙烷; 2-氯乙基乙醚; 2-氯乙基 乙基 醚

Database IDs

• CAS Number: 628-34-2
• EC Number: 211-037-9
• MDL Number: MFCD00000974
• Beilstein Number: 1731361
• PubChem SID: 162245305; 24892663; 24853782
• PubChem CID: 12341

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1458472
• LogD (pH = 7.4): 1.1458472
• Log P: 1.1458472
• Molar Refractivity: 27.1044 cm^3
• Polarizability: 10.643467 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60°C
• Boiling Point: 107 °C(lit.); 107-108°C
• Flash Point: 42.8 °F; 6 °C; 6°C(43°F)
• Density: 0.989 g/mL at 25 °C(lit.); 0.99
• Refractive Index: 1.4120; n20/D 1.411; n20/D 1.411(lit.)

Safety Information

• RTECS: KN6250000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1992; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/22; 11-20-36/37/38
• Safety Statements: 16-23-26-33-36/37; 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H331; H225-H332-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 2

Product Information

• Purity: ≥98.0% (GC); 98+%; 99%
• Grade: purum
• Linear Formula: ClCH2CH2OCH2CH3

DETAILS

Sigma Aldrich - C41207

Packaging
25, 100 g in glass bottle