1-{[(2S,4R)-2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
Basic information
- CAS
116498-43-2- Standard SMILES
CCC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1- InChIKey
STJLVHWMYQXCPB-IUODEOHRSA-N- Molecular formula
- C15H17Cl2N3O2
- Average molar mass
- 342.2 g/mol
- Monoisotopic mass
- 341.0697822
Names & identifiers
- Preferred name
- 1-{[(2S,4R)-2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
- IUPAC
- 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Names & synonyms
1-{[(2S,4R)-2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazoleDTXSID3010335461-(((2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleRefChem:436897DTXCID201518446842-007-9116498-43-21-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazoleSCHEMBL2522027(2S,4R)-2-(2,4-Dichlorophenyl)-4-propyl-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolaneEN300-2990551H-1,2,4-Triazole, 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]
Database identifiers
- CAS
116498-43-2- PubChem CID
- 679165
- DTXSID
DTXSID301033546- EC Number
- 842-007-9
- Nikkaji
- J668.136K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
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, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, 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
Loading…