CAS 36839-55-1 1,2-Bis(2-iodoethoxy)ethane (HCID 593436)

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Basic information

CAS: 36839-55-1
Standard SMILES: ICCOCCOCCI
InChIKey: BCAGFJXMCZSAHD-UHFFFAOYSA-N
Molecular formula: C6H12I2O2
Average molar mass: 369.97 g/mol
Monoisotopic mass: 369.89267

Names & identifiers

Preferred name: 1,2-Bis(2-iodoethoxy)ethane
IUPAC: 1,2-bis(2-iodoethoxy)ethane
English name: 1,2-Bis(2-iodoethoxy)ethane
Molecular formula: C6H12I2O2
Molecular weight: 369.97

Names & synonyms

1,2-Bis(2-iodoethoxy)ethane36839-55-1DTXSID70343951RefChem:71707DTXCID70295027628-192-7BCAGFJXMCZSAHD-UHFFFAOYSA-NIodo-PEG3-IodideMFCD000750081-Iodo-2-[2-(2-iodoethoxy)ethoxy]ethaneEthylene Glycol Bis(2-iodoethyl) EtherEthane, 1,2-bis(2-iodoethoxy)-

Show more names

1,2-Bis(ethylhexyl)ethane2-Bis(2-iodoethoxy)ethane1,8-Diiodo-3,6-dioxaoctane1,2-Bis(2-iodoethoxy)ethane 96%1,2-Bis(2-iodoethoxy)ethane ETHYLENE GLYCOL BIS(2-IODOETHYL) ETHER1,2-Bis(2-iodoethoxy)ethane - [B94186]1,2-Bis(2-iodoethoxy)ethane,97%,stabilized

SCHEMBL3772231,2-bis(2-iodoethoxy)-ethanes10654AS-59111SY052478CS-0112243EN300-74206061,2-Bis(2-iodoethoxy)ethane (stabilized with Copper chip)

Database identifiers

CAS: 36839-55-1
PubChem CID: 593436
DTXSID: DTXSID70343951
EC Number: 628-192-7
Nikkaji: J441.012B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 10
Formal charge: 0
Complexity: 53

Physicochemical properties

Boiling point: 100 · 100-105 °C(Press: 0.2 Torr)
Density: 2.028 g/mL · 2.028 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.572(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in water, polar organic solvents
form: Liquid
color: Clear red-orange
Appearance: yellow-brown oil
InChI: InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
InChIKey: BCAGFJXMCZSAHD-UHFFFAOYSA-N
SMILES: C(OCCI)COCCI
CAS DataBase Reference: 36839 · 36839-55-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29091990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements

Chemistry & industry

Applications · 2 items

DescriptionPEG3 diiodide is a homobifunctional linker with two iodide functional groups which are very reactive against many nucleophiles like thiols, amines, alkoxy anions, etc. Can be used to synthesize hydrophilic symmetrical conjugates.

Uses1,2- Bis (2-iodoethoxy)ethane was used as crosslinking reagent for synthesis of:zirconia-based, alkali-stable strong anion-exchange stationary phasesilica-coated nanoparticlesnovel shell cross-linked (SCL) micelles with pH-responsive poly(2-(diethylamino)ethyl methacrylate) cores and thermoresponsive poly(N-isopropylacrylamide) coronas