4-(dimethyl-1H-1,2,4-triazol-1-yl)benzaldehyde
Basic information
- CAS
1249124-17-1- Standard SMILES
Cc1nc(C)n(-c2ccc(C=O)cc2)n1- InChIKey
YVOZRAZVAAKGRC-UHFFFAOYSA-N- Molecular formula
- C11H11N3O
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.09021198
Names & identifiers
- Preferred name
- 4-(dimethyl-1H-1,2,4-triazol-1-yl)benzaldehyde
- IUPAC
- 4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzaldehyde
Names & synonyms
4-(Dimethyl-1H-1,2,4-triazol-1-yl)benzaldehyde1249124-17-1RefChem:515916819-519-64-(3,5-dimethyl-1,2,4-triazol-1-yl)benzaldehydeAKOS010601866CS-0232883EN300-1293219
Database identifiers
- CAS
1249124-17-1- PubChem CID
- 61346134
- EC Number
- 819-519-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
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
Loading…