Basic information
- Standard SMILES
OCCOCCOCCOCCCl- InChIKey
ISYSKYJOWFLWCM-UHFFFAOYSA-N- Molecular formula
- C8H17ClO4
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0815367
Names & identifiers
- Preferred name
- 2-[2-[2-(2-Chloroethoxy)ethoxy]ethoxy]ethanol
- IUPAC
- 2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol
- English name
- 2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol
- Molecular formula
- C8H17ClO4
- Molecular weight
- 212.67
Names & synonyms
2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethanol2-(2-(2-(2-Chloroethoxy)ethoxy)ethoxy)ethanolRefChem:452515846-666-35197-66-0MFCD06252124Tetraethylene glycol monochlorohydrineCl-PEG4-OH2-{2-[2-(2-chloroethoxy)ethoxy]ethoxy}ethan-1-olSCHEMBL38618372-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)ethan-1-olEthanol, 2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-
Show more names
Glycerol Impurity 252Tetraethylene glycol chlorohydrin2-(2-Chloroethoxy)ethyl[2-(2-hydroxyethoxy)ethyl] etherCl-PEG4-OH/Ethanol, 2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-
AKOS024390785AS-66678SY036110CS-0310966F199142-(2-chloroethoxy)ethyl 2-(2-hydroxyethoxy)ethyl etherChloro-PEG4-alcohol11-Chloro-3,6,9-trioxaundecanol
Database identifiers
- CAS
5197-66-0- PubChem CID
- 138434
- DTXSID
DTXSID90199937- UNII
- E42AD9PQ94
- EC Number
- 846-666-3
- Nikkaji
- J191.527D
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 92.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 305.34 °C · 305.34°C (rough estimate)
- Density
- 1.2059 · 1.2059 (rough estimate)
- refractive index
- 1.4571 · 1.4571 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 14.36 · 14.36±0.10(Predicted)
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 17 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-[2-[2-(2-Chloroethoxy)ethoxy]ethoxy]ethanol is a polyethylene glycol used in the synthesis of novel glycolipids that bind HIV-1 cell surface glycoprotein Gp120 with potential application to pharmaceutical HIV-1 drugs. Also used in the synthesis of PET imaging agents targeting brain β-amyloid.
Upstream & downstream products
Upstream raw materials
Suppliers40 total
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
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Related reactions
3 records
Linked notes
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