2,4,5-Trichloro-6-ethylpyrimidine
Basic information
- CAS
6585-48-4- Standard SMILES
CCc1nc(Cl)nc(Cl)c1Cl- InChIKey
PAMHFOVFWWAYCK-UHFFFAOYSA-N- Molecular formula
- C6H5Cl3N2
- Average molar mass
- 211.5 g/mol
- Monoisotopic mass
- 209.951831
Names & identifiers
- Preferred name
- 2,4,5-Trichloro-6-ethylpyrimidine
- IUPAC
- 2,4,5-trichloro-6-ethylpyrimidine
Names & synonyms
2,4,5-trichloro-6-ethylpyrimidine6585-48-4DTXSID20289017RefChem:245547DTXCID20240163864-573-6NSC58573CHEMBL1965178Pyrimidine,4,5-trichloro-6-ethyl-NSC-58573AKOS026726656NCI60_004427
Show more names
DB-116448EN300-105046G40566Z1377144825
Database identifiers
- CAS
6585-48-4- PubChem CID
- 246015
- DTXSID
DTXSID20289017- ChEMBL
CHEMBL1965178- EC Number
- 864-573-6
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 133
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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