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

• ChemBase ID: 152374
• Molecular Formular: C8H16Cl2O3
• Molecular Mass: 231.11684
• Monoisotopic Mass: 230.04764973
• SMILES: C(COCCCl)OCCOCCCl
• Canonical SMILES: ClCCOCCOCCOCCCl
• InChI: InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
• InChIKey: ZCFRYTWBXNQVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-{2-[2-(2-chloroethoxy)ethoxy]ethoxy}ethane
• IUPAC Traditional name: tetraglycol dichloride
• Synonyms: 1,11-Dichloro-3,6,9-trioxaundecane; Tetraethylene glycol dichloride; Bis[2-(2-chloroethoxy)ethyl] ether; 1-Chloro-2-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)ethane; 1,11-二氯-3,6,9-三氧杂十一烷; 四乙二醇二氯化物; 双[2-(2-氯化乙氧基)乙基]醚

Database IDs

• CAS Number: 638-56-2
• MDL Number: MFCD00054473
• Beilstein Number: 1071710
• PubChem SID: 162246519; 24848771
• PubChem CID: 61187

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3595781
• LogD (pH = 7.4): 1.3595781
• Log P: 1.3595781
• Molar Refractivity: 53.7861 cm^3
• Polarizability: 21.332962 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.18 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.464

Safety Information

• RTECS: KN0525000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25
• Safety Statements: 36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312
• GHS Precautionary statements: P280-P301 + P310
• 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

Product Information

• Purity: ≥99.0% (T); 95+%
• Linear Formula: O(CH2CH2OCH2CH2Cl)2

DETAILS

Sigma Aldrich - 14625

Packaging
10, 50 mL in glass bottle