(2-chloroethoxy)ethene

• ChemBase ID: 150982
• Molecular Formular: C4H7ClO
• Molecular Mass: 106.55078
• Monoisotopic Mass: 106.01854252
• SMILES: C=COCCCl
• Canonical SMILES: ClCCOC=C
• InChI: InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2
• InChIKey: DNJRKFKAFWSXSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethoxy)ethene
• IUPAC Traditional name: 2-chloroethyl vinyl ether
• Synonyms: 2-Chloroethyl vinyl ether; 2-氯乙基乙烯基醚

Database IDs

• CAS Number: 110-75-8
• EC Number: 203-799-6
• MDL Number: MFCD00000973
• Beilstein Number: 773787
• PubChem SID: 162245141; 24846951
• PubChem CID: 8074

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2937137
• LogD (pH = 7.4): 1.2937137
• Log P: 1.2937137
• Molar Refractivity: 26.048 cm^3
• Polarizability: 10.393957 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109 °C(lit.)
• Flash Point: 16 °C; 60.8 °F
• Density: 1.048 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.438(lit.)
• Vapor Pressure: 760 mmHg ( 109 °C)

Safety Information

• RTECS: KN6300000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H315-H319-H335
• GHS Precautionary statements: P210-P261-P301 + P310-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 1992 3/PG 2

Product Information

• Purity: 99%
• Contains: 300 ppm triethanolamine as stabilizer; 50 ppm MEHQ as stabilizer
• Linear Formula: ClCH2CH2OCH=CH2

DETAILS

Sigma Aldrich - 109983

Packaging
25 g in glass bottle