Basic information
- CAS
3958-83-6- Standard SMILES
O=C1C=CC(=O)C(I)=C1- InChIKey
FFJVYLVTPMHYQP-UHFFFAOYSA-N- Molecular formula
- C6H3IO2
- Average molar mass
- 233.99 g/mol
- Monoisotopic mass
- 233.91778
Names & identifiers
- Preferred name
- p-Benzoquinone, 2-iodo-
- IUPAC
- 2-iodocyclohexa-2,5-diene-1,4-dione
- English name
- 2-Iodo-1,4-benzoquinone
- Molecular formula
- C6H3IO2
- Molecular weight
- 233.99
Names & synonyms
2-iodo-1,4-benzoquinone3958-83-6Monoiodoquinonep-Benzoquinone, 2-iodo-BRN 2352252DTXSID501927023-07-00-03384 (Beilstein Handbook Reference)RefChem:857994DTXCID50115193816-779-22-iodocyclohexa-2,5-diene-1,4-dioneMFCD01663089
Show more names
2,5-Cyclohexadiene-1,4-dione, 2-iodo-
iodoquinoneC6H3IO2SCHEMBL1274599CHEMBL4177100SCHEMBL28138619FFJVYLVTPMHYQP-UHFFFAOYSA-AKOS037655373PS-10944
Database identifiers
- CAS
3958-83-6- PubChem CID
- 77570
- DTXSID
DTXSID50192702- ChEMBL
CHEMBL4177100- EC Number
- 816-779-2
- Nikkaji
- J65.487F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 62 °C · 62 °C
- Boiling point
- 249.3 · 249.3±35.0 °C(Predicted)
- Density
- 2.12 · 2.12±0.1 g/cm3(Predicted)
- form
- crystalline powder
- color
- Red
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H315-H319-H335-H400-H410
- Precautionary statements
- 260 · P260-P280-P301+P310
- HS Code
- 2914698090 · 2914698090
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2914698090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- Hazard statements
- H301+H331-H315-H319-H335-H400-H410
- Precautionary statements
- P260-P280-P301+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海艾康睿医药科技有限公司021-33730573 15821573036 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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