2,4-Dichloro-5-(2-chloroethyl)-6-methylpyrimidine
Basic information
- CAS
89793-69-1- Standard SMILES
Cc1nc(Cl)nc(Cl)c1CCCl- InChIKey
ZEDIRTAHPSPMSW-UHFFFAOYSA-N- Molecular formula
- C7H7Cl3N2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.967481
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-(2-chloroethyl)-6-methylpyrimidine
- IUPAC
- 2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine
- English name
- Pyrimidine, 2,4-dichloro-5-(2-chloroethyl)-6-methyl-
- Molecular formula
- C7H7Cl3N2
- Molecular weight
- 225.5
Names & synonyms
2,4-DICHLORO-5-(2-CHLOROETHYL)-6-METHYLPYRIMIDINE89793-69-1CHEMBL1091192SCHEMBL16446289PDA79369EBC-12688EN300-203630G45348Z1726115853Pyrimidine, 2,4-dichloro-5-(2-chloroethyl)-6-methyl-
Database identifiers
- CAS
89793-69-1- PubChem CID
- 600353
- ChEMBL
CHEMBL1091192- EC Number
- 116-517-0
- Nikkaji
- J1.398.730K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 136 °C · 136 °C(Press: 4 Torr)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- -2.11 · -2.11±0.39(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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