4-Chloro-6-methyl-2-propylpyrimidine
Basic information
- CAS
90002-86-1- Standard SMILES
CCCc1nc(C)cc(Cl)n1- InChIKey
AIPSHVWZBOQGON-UHFFFAOYSA-N- Molecular formula
- C8H11ClN2
- Average molar mass
- 170.64 g/mol
- Monoisotopic mass
- 170.0610761
Names & identifiers
- Preferred name
- 4-Chloro-6-methyl-2-propylpyrimidine
- IUPAC
- 4-chloro-6-methyl-2-propylpyrimidine
- English name
- ASISCHEM C63666
- Molecular formula
- C8H11ClN2
- Molecular weight
- 170.64
Names & synonyms
4-CHLORO-6-METHYL-2-PROPYLPYRIMIDINE90002-86-1MFCD08753339SCHEMBL1671889DTXSID10589790AKOS000284066SB568174-chloranyl-6-methyl-2-propyl-pyrimidineBS-36510DB-117943F309282ASISCHEM C63666
Show more names
Pyrimidine, 4-chloro-6-methyl-2-propyl-4-chloro-6-methyl-2-propylpyrimidine(SALTDATA: FREE)
Database identifiers
- CAS
90002-86-1- PubChem CID
- 17606393
- DTXSID
DTXSID10589790
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 108 · 108-110 °C(Press: 24 Torr)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- pka
- 1.26 · 1.26±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · 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-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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