1,1'-Oxybis(4-iodobenzene)
Basic information
- CAS
28896-49-3- Standard SMILES
Ic1ccc(Oc2ccc(I)cc2)cc1- InChIKey
VHEGXFQQYZIMMF-UHFFFAOYSA-N- Molecular formula
- C12H8I2O
- Average molar mass
- 422 g/mol
- Monoisotopic mass
- 421.86646
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)DTXSID201830861,1'-Oxybis[4-iodobenzene]RefChem:1051623DTXCID301055774-Iodophenyl ether4,4'-Diiododiphenyl ether1-iodo-4-(4-iodophenoxy)benzeneBis(4-iodophenyl) etherBenzene, 1,1'-oxybis[4-iodo-
Show more names
SKL685ether,bis(p-iodophenyl)1,1'-Oxybis[4-iodobenzene
Bis(p-iodophenyl) ether4,4'-oxybis(iodobenzene)MFCD00060667Benzene, 1,1'-oxybis(4-iodo-ZINC4803940NSC-45097Bis(p-iodophenyl)etherNSC 45097
Database identifiers
- CAS
28896-49-3- PubChem CID
- 34360
- DTXSID
DTXSID20183086- UNII
- WEV5674BSU
- EC Number
- 158-648-6
- Nikkaji
- J49.854H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 9.2 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
6 records
Compound notes
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