Ethane, 1,1'-oxybis[2-(2-bromoethoxy)-

HCID 572269

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 31255-26-2
Standard SMILES: BrCCOCCOCCOCCBr
InChIKey: IJFMWHWXEBUOKR-UHFFFAOYSA-N
Molecular formula: C8H16Br2O3
Average molar mass: 320.02 g/mol
Monoisotopic mass: 317.94662

Names & identifiers

Preferred name: Ethane, 1,1'-oxybis[2-(2-bromoethoxy)-
IUPAC: 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane
English name: Ethane,1,1'-Oxybis〔2-(2-bromoethoxy)-
Molecular formula: C8H16Br2O3
Molecular weight: 320.02

Names & synonyms

31255-26-2Ethane, 1,1'-oxybis[2-(2-bromoethoxy)-DTXSID50341319Ethane, 1,1'-oxybis(2-(2-bromoethoxy)-RefChem:339976DTXCID20292400IJFMWHWXEBUOKR-UHFFFAOYSA-NBromo-PEG3-bromide1-BROMO-2-(2-(2-(2-BROMOETHOXY)ETHOXY)ETHOXY)ETHANE1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane1,11-dibromo-3,6,9-trioxaundecaneBr-PEG3-CH2CH2Br

Show more names

Br-PEG4-BrBr-PEG3-BrBr-PEG3-bromideCAS_31255-26-2Br-(CH2CH2O)4-BrBromo-PEG4-bromideEthane,1,1'-Oxybis〔2-(2-bromoethoxy)-1-broMo-2-(2-(2-(2-broMoethoxy)ethoxy) ethoxy)ethane

MFCD18205853bis[2-[2-bromoethoxy)ethyl]etherEX-A3304Ethane,1,1'-Oxybisleft broken bracket2-(2-bromoethoxy)-BS-164821-BROMO-2-{2-[2-(2-BROMOETHOXY)ETHOXY]ETHOXY}ETHANEEthane,1,1'-Oxybis?2-(2-bromoethoxy)-S10639

Database identifiers

CAS: 31255-26-2
PubChem CID: 572269
DTXSID: DTXSID50341319
Nikkaji: J1.047.202D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 13
Formal charge: 0
Complexity: 83.5

Physicochemical properties

Boiling point: 146 °C · 146 °C(Press: 0.06 Torr)
Density: 1.5686 g/cm3 · 1.5686 g/cm3
storage temp.: 2 · 2-8°C
form: Liquid
color: Colorless to light yellow
InChI: InChI=1S/C8H16Br2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
InChIKey: IJFMWHWXEBUOKR-UHFFFAOYSA-N
SMILES: O(CCOCCBr)CCOCCBr
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

DescriptionBromo-PEG3-bromide is a PEG linker containing two bromide groups. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The hydrophilic PEG spacer increases solubility in aqueous media.

UsesBromo-PEG3-bromide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].