Basic information
- CAS
30361-97-8- Standard SMILES
ClCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
GDFBNVJEHRCGTC-UHFFFAOYSA-N- Molecular formula
- C6H2Cl7N3
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 360.806841
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-(chloromethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
- English name
- 2-(Chloromethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
- Molecular formula
- C6H2Cl7N3
- Molecular weight
- 364.27
Names & synonyms
2-(Chloromethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine30361-97-8s-Triazine, 2-(chloromethyl)-4,6-bis(trichloromethyl)-SCHEMBL10710919DTXSID80952710GDFBNVJEHRCGTC-UHFFFAOYSA-N1,3,5-Triazine, 2-(chloromethyl)-4,6-bis(trichloromethyl)-2-(Chloromethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine #
Database identifiers
- CAS
30361-97-8- PubChem CID
- 35152
- DTXSID
DTXSID80952710- Nikkaji
- J130.864E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 60.5 · 60.5-61 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 175 · 175-177 °C(Press: 2 Torr)
- Density
- 1.826 · 1.826±0.06 g/cm3(Predicted)
- pka
- -2.56 · -2.56±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…