tert-Butyl 2,5-diiodopyridin-3-yl carbonate
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Basic information
- CAS
1138444-30-0- Standard SMILES
CC(C)(C)OC(=O)Oc1cc(I)cnc1I- InChIKey
WMVJULQDZSDXLS-UHFFFAOYSA-N- Molecular formula
- C10H11I2NO3
- Average molar mass
- 447.01 g/mol
- Monoisotopic mass
- 446.88284
Names & identifiers
- Preferred name
- tert-Butyl 2,5-diiodopyridin-3-yl carbonate
- IUPAC
- tert-butyl (2,5-diiodo-3-pyridinyl) carbonate
- English name
- tert-Butyl 2,5-diiodopyridin-3-yl carbonate
- Molecular formula
- C10H11I2NO3
- Molecular weight
- 447.01
Names & synonyms
tert-Butyl 2,5-diiodopyridin-3-yl carbonate1138444-30-0tert-butyl (2,5-diiodopyridin-3-yl) carbonateMFCD11857703DTXSID00673879AKOS015840250tert-butyl(2,5-diiodopyridin-3-yl)carbonatetert-butyl (2,5-diiodo-3-pyridyl) carbonateH53845tert-Butyl 2,5-diiodopyridin-3-yl carbonate, AldrichCPRCarbonic acid, 2,5-diiodo-3-pyridinyl 1,1-dimethylethyl ester
Database identifiers
- CAS
1138444-30-0- PubChem CID
- 46736795
- DTXSID
DTXSID00673879
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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