Basic information
- CAS
1512496-52-4- Standard SMILES
CC(C)(C)n1nnc(C=O)n1- InChIKey
NRYLMRXRSFJEAN-UHFFFAOYSA-N- Molecular formula
- C6H10N4O
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.08546096
Names & identifiers
- Preferred name
- 2-tert-butyl-2H-1,2,3,4-tetrazole-5-carbaldehyde
- IUPAC
- 2-tert-butyltetrazole-5-carbaldehyde
Names & synonyms
2-tert-butyl-2H-1,2,3,4-tetrazole-5-carbaldehyde1512496-52-4RefChem:483616827-841-32-tert-butyltetrazole-5-carbaldehydeMKC49652EN300-266804G42127Z2466681846
Database identifiers
- CAS
1512496-52-4- PubChem CID
- 83672233
- EC Number
- 827-841-3
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
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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