4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine
Basic information
- CAS
659729-09-6- Standard SMILES
FC(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1- InChIKey
RYYMGPDAXCLXSL-UHFFFAOYSA-N- Molecular formula
- C11H6ClF3N2
- Average molar mass
- 258.62 g/mol
- Monoisotopic mass
- 258.01716053
Names & identifiers
- Preferred name
- 4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine
- IUPAC
- 4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidine
- English name
- 4-chloro-6-(4'-(trifluoromethyl)phenyl)pyrimidine
- Molecular formula
- C11H6ClF3N2
- Molecular weight
- 258.63
Names & synonyms
659729-09-64-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine4-chloro-6-(4'-(trifluoromethyl)phenyl)pyrimidine4-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidineMFCD09839523Pyrimidine, 4-chloro-6-[4-(trifluoromethyl)phenyl]-4-chloro-6-(4-(trifluoromethyl)-phenyl)pyrimidine4-chloro-6-[4-(trifluoromethyl)-phenyl]pyrimidine4-Chloro-6-(4-trifluoromethyl-phenyl)-pyrimidineSCHEMBL605004DTXSID80587783AKOS014987258
Show more names
4-Chloro-6-(4-(trifluoromethyl)
SB60730AS-53542DB-358127CS-01869914-chloro-6-(4-trifluoromethylphenyl)pyrimidineP166464-Chloro-6-(4'-trifluoromethylphenyl)pyrimidine4-chloro-6-(4-trifluoromethyl-phenyl)pyrimidine
Database identifiers
- CAS
659729-09-6- PubChem CID
- 16747837
- DTXSID
DTXSID80587783
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 318.7 · 318.7±37.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.61 · -1.61±0.18(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
86 records
Compound notes
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