1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethane

• ChemBase ID: 147501
• Molecular Formular: C6H12Cl2O2
• Molecular Mass: 187.06428
• Monoisotopic Mass: 186.02143498
• SMILES: C(COCCCl)OCCCl
• Canonical SMILES: ClCCOCCOCCCl
• InChI: InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
• InChIKey: AGYUOJIYYGGHKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethane
• IUPAC Traditional name: 1,2-bis(2-chloroethoxy)ethane
• Synonyms: Dichlorotriethylene dioxide; ‘Triglycol dichloride’; Tri(ethylene glycol) dichloride; 1,2-Bis(2-chloroethoxy)ethane; Triethylene glycol dichloride; “三甘醇二氯化物"; 三(乙二醇)二氯化物; 1,2-双(2-氯乙氧基)乙烷; 1,2-二(2-氯乙氧基)乙烷

Database IDs

• CAS Number: 112-26-5
• EC Number: 203-952-7
• MDL Number: MFCD00000976
• Beilstein Number: 506177
• PubChem SID: 162241689; 24854495
• PubChem CID: 8171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4065536
• LogD (pH = 7.4): 1.4065536
• Log P: 1.4065536
• Molar Refractivity: 42.7426 cm^3
• Polarizability: 16.942764 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -32°C
• Boiling Point: 235 °C(lit.); 235°C
• Flash Point: >110°C(230°F); 121 °C; 249.8 °F
• Density: 1.197; 1.197 g/mL at 25 °C(lit.)
• Refractive Index: 1.4610; n20/D 1.461; n20/D 1.461(lit.)

Safety Information

• RTECS: KH4900000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2810; UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 19-21/22-37/38-41; 21/22-37/38
• Safety Statements: 26-36/37/39; 26-36/37/39-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H318-H335; H302-H312-H315-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338; P261-P280-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥95.0% (GC); 97%
• Grade: purum
• Impurities: ~0.5% water
• Linear Formula: ClCH2CH2OCH2CH2OCH2CH2Cl

DETAILS

Sigma Aldrich - 241628

Packaging
5, 100, 500 g in glass bottle