4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde
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Basic information
- CAS
1400644-65-6- Standard SMILES
O=Cc1c(I)cnn1C1CCCCO1- InChIKey
BQGKJKQPLRHELQ-UHFFFAOYSA-N- Molecular formula
- C9H11IN2O2
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.98653
Names & identifiers
- Preferred name
- 4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde
- IUPAC
- 4-iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde
- English name
- 4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde
- Molecular formula
- C9H11IN2O2
- Molecular weight
- 306.1
Names & synonyms
4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde1400644-65-64-IODO-1-(OXAN-2-YL)-1H-PYRAZOLE-5-CARBALDEHYDE4-IODO-2-(OXAN-2-YL)PYRAZOLE-3-CARBALDEHYDEMFCD22421551BS-27023CS-02126824-iodo-2-tetrahydropyran-2-yl-pyrazole-3-carbaldehyde4-Iodo-1-(tetrahydropyran-2-yl)pyrazole-5-carbaldehyde1H-Pyrazole-5-carboxaldehyde, 4-iodo-1-(tetrahydro-2H-pyran-2-yl)-
Database identifiers
- CAS
1400644-65-6- PubChem CID
- 74891923
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 416.4 · 416.4±45.0 °C(Predicted)
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- pka
- -2.28 · -2.28±0.19(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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