Basic information
- CAS
1955-21-1- Standard SMILES
Oc1cc(I)c(O)c(I)c1- InChIKey
TXLWEPPRCDCHRB-UHFFFAOYSA-N- Molecular formula
- C6H4I2O2
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 361.83007
Names & identifiers
- Preferred name
- 1,4-Benzenediol, 2,6-diiodo-
- IUPAC
- 2,6-diiodobenzene-1,4-diol
- English name
- 2 6-Diiodohydroquinone
- Molecular formula
- C6H4I2O2
- Molecular weight
- 361.9
Names & synonyms
2,6-Diiodohydroquinone1,4-Benzenediol, 2,6-diiodo-2,6-Diiodo-1,4-benzenediolBRN 2209260EINECS 217-791-53,5-DiiodobenzoquinoneDTXSID20620863-06-00-04441 (Beilstein Handbook Reference)RefChem:73069DTXCID6036120217-791-5TXLWEPPRCDCHRB-UHFFFAOYSA-N
Show more names
2,6-diiodo-hydroquinon2,6-diiodo-4-benzenediol
1955-21-12,6-diiodobenzene-1,4-diol2,6-Diiodoquinol2 6-DIIODOHYDROQUINONEHydroquinone, 2,6-diiodo-SCHEMBL71182SCHEMBL115035612,6-Diiodo-1,4-benzenediol #
Database identifiers
- CAS
1955-21-1- PubChem CID
- 74775
- DTXSID
DTXSID2062086- EC Number
- 217-791-5
- Nikkaji
- J49.296E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 144.5 °C · 144.5°C
- Boiling point
- 308.5 · 308.5±42.0 °C(Predicted)
- Density
- 2.4593 · 2.4593 (estimate)
- pka
- 7.79 · 7.79±0.23(Predicted)
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, 2,6-diiodo- (1955-21-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediol, 2,6-diiodo-: INACTIVE
Applications
Uses2,6-Diiodobenzene-1,4-diol is a metabolite of the antithyroid compound, Diacetyl-2,6-diiodoohydroquinone.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
1 records
Compound notes
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