1,1'-Oxybis(4-iodobenzene)

HCID 34360CAS 28896-49-3

Substructure search Find similar structures

Basic information

Standard SMILES: Ic1ccc(Oc2ccc(I)cc2)cc1
InChIKey: VHEGXFQQYZIMMF-UHFFFAOYSA-N
Molecular formula: C12H8I2O
Average molar mass: 422 g/mol
Monoisotopic mass: 421.86646088

Names & identifiers

Preferred name: 1,1'-Oxybis(4-iodobenzene)
IUPAC: 1-iodo-4-(4-iodophenoxy)benzene
English name: 4-Iodophenyl ether
Molecular formula: C12H8I2O
Molecular weight: 422

Names & synonyms

28896-49-3ETHER, BIS(p-IODOPHENYL)1,1'-oxybis(4-iodobenzene)DTXSID20183086RefChem:1051623DTXCID301055774-Iodophenyl ether4,4'-Diiododiphenyl ether1-iodo-4-(4-iodophenoxy)benzeneBis(4-iodophenyl) etherBis(p-iodophenyl) etherBenzene, 1,1'-oxybis[4-iodo-

Show more names

SKL685ether,bis(p-iodophenyl)1,1'-Oxybis[4-iodobenzene1,1'-Oxybis[4-iodobenzene]

4,4'-oxybis(iodobenzene)MFCD00060667Benzene, 1,1'-oxybis(4-iodo-Bis(p-iodophenyl)etherNSC 45097BRN 2212554C12H8I2O4-iodopheyl ether

Database identifiers

CAS: 28896-49-3
PubChem CID: 34360
DTXSID: DTXSID20183086
EC Number: 158-648-6
Nikkaji: J49.854H

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 43 · 43-45°C
EWG's Food Scores: 1 · 1
Hazard Codes: Xi
HazardClass: IRRITANT
Toxicity: 50 · mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01804,

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Toxicity: mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01804,
hazard_code: Xi
hazard_class: IRRITANT