Basic information
- CAS
2156726-16-6- Standard SMILES
CCc1c(N)n[nH]c1C(F)(F)F- InChIKey
ZDYFUOUXDUPYAQ-UHFFFAOYSA-N- Molecular formula
- C6H8F3N3
- Average molar mass
- 179.14 g/mol
- Monoisotopic mass
- 179.06703175
Names & identifiers
- Preferred name
- 4-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
- IUPAC
- 4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
Names & synonyms
4-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine2156726-16-6RefChem:522774973-070-14-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amineAKOS009860852EN300-190072
Database identifiers
- CAS
2156726-16-6- PubChem CID
- 33782881
- EC Number
- 973-070-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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