2-Chloro-9-methyl-6-(trifluoromethyl)-9h-purine
Basic information
- CAS
1644-75-3- Standard SMILES
Cn1cnc2c(C(F)(F)F)nc(Cl)nc21- InChIKey
AVWDQAFPAQLSFQ-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3N4
- Average molar mass
- 236.58 g/mol
- Monoisotopic mass
- 236.0076583
Names & identifiers
- Preferred name
- 2-Chloro-9-methyl-6-(trifluoromethyl)-9h-purine
- IUPAC
- 2-chloro-9-methyl-6-(trifluoromethyl)purine
- English name
- 9H-Purine,2-chloro-9-methyl-6-(trifluoromethyl)-
- Molecular formula
- C7H4ClF3N4
- Molecular weight
- 236.58
Names & synonyms
2-chloro-9-methyl-6-(trifluoromethyl)-9h-purine1644-75-32-chloro-9-methyl-6-(trifluoromethyl)purine9H-Purine, 2-chloro-9-methyl-6-(trifluoromethyl)-NSC66234SCHEMBL38673250DTXSID20290047BAA64475NSC-66234AKOS000320385CS-0260390EN300-7506887
Show more names
9H-Purine,2-chloro-9-methyl-6-(trifluoromethyl)-
Z1509671610
Database identifiers
- CAS
1644-75-3- PubChem CID
- 248784
- DTXSID
DTXSID20290047
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 284 · 284.0±50.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- -0.67 · -0.67±0.10(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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…