2-Chloro-4-(dimethylamino)-5-fluoropyrimidine
Basic information
- CAS
355829-23-1- Standard SMILES
CN(C)c1nc(Cl)ncc1F- InChIKey
KFHFDFGUSBMVOF-UHFFFAOYSA-N- Molecular formula
- C6H7ClFN3
- Average molar mass
- 175.59 g/mol
- Monoisotopic mass
- 175.0312531
Names & identifiers
- Preferred name
- 2-Chloro-4-(dimethylamino)-5-fluoropyrimidine
- IUPAC
- 2-chloro-5-fluoro-N,N-dimethylpyrimidin-4-amine
- English name
- 2-Chloro-4-(dimethylamino)-5-fluoropyrimidine
- Molecular formula
- C6H7ClFN3
- Molecular weight
- 175.59
Names & synonyms
355829-23-12-chloro-5-fluoro-N,N-dimethylpyrimidin-4-amine2-Chloro-4-(dimethylamino)-5-fluoropyrimidineMFCD013467022-chloro-5-fluoro-N,N-dimethyl-4-pyrimidinamine4-PYRIMIDINAMINE, 2-CHLORO-5-FLUORO-N,N-DIMETHYL-(2-chloro-5-fluoropyrimidin-4-yl)dimethylamine4-Pyrimidinamine,2-chloro-5-fluoro-N,N-dimethyl-SCHEMBL938981DTXSID70365658ALBB-018207SBB089098
Show more names
CHEMBRDG-BB 60836472-chloro-5-fluoro-N,N-dimethyl-4-pyrimidinamine(SALTDATA: FREE)
STK362262AKOS000421999AB09089LS-05985DB-116699CS-0072577ST50938735H32516
Database identifiers
- CAS
355829-23-1- PubChem CID
- 1928095
- DTXSID
DTXSID70365658
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 275.3 · 275.3±25.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.10(Predicted)
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…