3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide
Basic information
- CAS
400080-22-0- Standard SMILES
NC(=O)c1n[nH]c(COc2ccc(Cl)cc2Cl)n1- InChIKey
HZRFDXVYQRQBOD-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N4O2
- Average molar mass
- 287.1 g/mol
- Monoisotopic mass
- 286.0024309
Names & identifiers
- Preferred name
- 3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamide
- IUPAC
- 5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
Names & synonyms
400080-22-03-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-5-carboxamide3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazole-5-carboxamideRefChem:488177998-080-33-(2,4-dichlorophenoxymethyl)-1H-1,2,4-triazole-5-carboxamide5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamideOprea1_375173ARA08022AKOS005087338CS-02393083F-050
Show more names
EN300-209384Z2027016536
Database identifiers
- CAS
400080-22-0- PubChem CID
- 1473643
- EC Number
- 998-080-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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