2-(2-{2-[(chlorocarbonyl)oxy]ethoxy}ethoxy)ethyl chloroformate

• ChemBase ID: 149268
• Molecular Formular: C8H12Cl2O6
• Molecular Mass: 275.08328
• Monoisotopic Mass: 274.00109346
• SMILES: C(COCCOC(=O)Cl)OCCOC(=O)Cl
• Canonical SMILES: ClC(=O)OCCOCCOCCOC(=O)Cl
• InChI: InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2
• InChIKey: IFOIGJKHVZBFPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{2-[(chlorocarbonyl)oxy]ethoxy}ethoxy)ethyl chloroformate
• IUPAC Traditional name: 2-(2-{2-[(chlorocarbonyl)oxy]ethoxy}ethoxy)ethyl chloroformate
• Synonyms: Tri(ethylene glycol) bis(chloroformate); 三(乙二醇)双(氯甲酸酯)

Database IDs

• CAS Number: 17134-17-7
• MDL Number: MFCD00011536
• PubChem SID: 162243436; 24858190
• PubChem CID: 86963

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5930742
• LogD (pH = 7.4): 1.5930742
• Log P: 1.5930742
• Molar Refractivity: 56.3696 cm^3
• Polarizability: 22.557137 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.34 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.457(lit.)
• Vapor Pressure: 0.09 psi ( 20 °C)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3277
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H331
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3277 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: (ClCO2CH2CH2OCH2)2

DETAILS

Sigma Aldrich - 301477

Packaging
5, 25 g in glass bottle