Basic information
- CAS
3764-00-9- Standard SMILES
Cc1c(Cl)nc(CCl)nc1Cl- InChIKey
WXZHGLANTPKTFL-UHFFFAOYSA-N- Molecular formula
- C6H5Cl3N2
- Average molar mass
- 211.5 g/mol
- Monoisotopic mass
- 209.951831
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-(chloromethyl)-5-methylpyrimidine
- IUPAC
- 4,6-dichloro-2-(chloromethyl)-5-methylpyrimidine
- English name
- 4,6-Dichloro-2-(chloroMethyl)-5-MethylpyriMidine
- Molecular formula
- C6H5Cl3N2
- Molecular weight
- 211.48
Names & synonyms
4,6-dichloro-2-(chloromethyl)-5-methylpyrimidine3764-00-9NSC40211DTXSID30285005NSC-40211AKOS017975927SB59925Pyrimidine, 4,6-dichloro-2-(chloromethyl)-5-methyl-
Database identifiers
- CAS
3764-00-9- PubChem CID
- 237012
- DTXSID
DTXSID30285005
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 39.5 · 39.5-40.5 °C
- Boiling point
- 268 · 268.0±40.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -4.86 · -4.86±0.39(Predicted)
Chemistry & industry
Suppliers2 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…