2-(2-Fluorophenyl)pyrimidine-5-carbaldehyde
Basic information
- CAS
946707-17-1- Standard SMILES
O=Cc1cnc(-c2ccccc2F)nc1- InChIKey
SBKCPJUYLLRHTH-UHFFFAOYSA-N- Molecular formula
- C11H7FN2O
- Average molar mass
- 202.18 g/mol
- Monoisotopic mass
- 202.05424101
Names & identifiers
- Preferred name
- 2-(2-Fluorophenyl)pyrimidine-5-carbaldehyde
- IUPAC
- 2-(2-fluorophenyl)pyrimidine-5-carbaldehyde
- English name
- 2-(2-Fluorophenyl)-pyrimidinecarboxaldehyde
- Molecular formula
- C11H7FN2O
- Molecular weight
- 202.18
Names & synonyms
2-(2-fluorophenyl)pyrimidine-5-carbaldehyde946707-17-12-(2-Fluorophenyl)pyrimidine-5-carboxaldehyeMFCD09743685CHEMBL4474998SCHEMBL25428723DTXSID40589783SBB092903AKOS000284015DS-0194SB60758SY109811
Show more names
2-(2-Fluorophenyl)-pyrimidinecarboxaldehyde2-(2-fluorophenyl)-5-Pyrimidinecarboxaldehyde5-Pyrimidinecarboxaldehyde,2-(2-fluorophenyl)-
DB-080000F078291
Database identifiers
- CAS
946707-17-1- PubChem CID
- 17606349
- DTXSID
DTXSID40589783- ChEMBL
CHEMBL4474998
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 246.2 · 246.2±32.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.55 · -1.55±0.42(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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