1,2-dichloro-1-ethoxyethane

• ChemBase ID: 137162
• Molecular Formular: C4H8Cl2O
• Molecular Mass: 143.01172
• Monoisotopic Mass: 141.99522024
• SMILES: CCOC(CCl)Cl
• Canonical SMILES: CCOC(CCl)Cl
• InChI: InChI=1S/C4H8Cl2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3
• InChIKey: NNBUKAPOVBEMNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1-ethoxyethane
• IUPAC Traditional name: ethane, 1,2-dichloro-1-ethoxy-
• Synonyms: 1,2-Dichloro-1-ethoxyethane; 1,2-Dichloroethyl ethyl ether; 1,2-二氯乙氧基乙烷; 1,2-二氯乙基乙醚

Database IDs

• CAS Number: 623-46-1
• EC Number: 210-794-2
• MDL Number: MFCD00041730
• Beilstein Number: 1733607
• PubChem SID: 24861864; 162231427
• PubChem CID: 79077

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9753814
• LogD (pH = 7.4): 1.9753814
• Log P: 1.9753814
• Molar Refractivity: 31.6719 cm^3
• Polarizability: 12.5634985 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-145 °C(lit.)
• Flash Point: 107.6 °F; 42 °C
• Density: 1.167 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.442; n20/D 1.442(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319-H335
• GHS Precautionary statements: P261-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 1993 3/PG 3

Product Information

• Purity: ~85% (GC); 85%
• Grade: technical; technical grade
• Linear Formula: ClCH2CHClOCH2CH3

DETAILS

Sigma Aldrich - 35650

Packaging
10 mL in glass bottle