Basic information
- CAS
1048389-82-7- Standard SMILES
CC(C)(C)c1cc(N)n(CC(F)(F)F)n1- InChIKey
ULDPQKCPIAKINS-UHFFFAOYSA-N- Molecular formula
- C9H14F3N3
- Average molar mass
- 221.22 g/mol
- Monoisotopic mass
- 221.11398195
Names & identifiers
- Preferred name
- 3-tert-Butyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
- IUPAC
- 3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
- English name
- 3-Tert-Butyl-1-(2,2,2-Trifluoroethyl)-1H-Pyrazol-5-Amine
- Molecular formula
- C9H14F3N3
- Molecular weight
- 221.22
Names & synonyms
1048389-82-73-TERT-BUTYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOL-5-AMINERefChem:505338967-488-33-(tert-Butyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amineMFCD099104365-tert-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-amineSCHEMBL15069908ULDPQKCPIAKINS-UHFFFAOYSA-NAR2249AKOS027334839AS-45307
Show more names
SY243803DB-128443CS-0154880F3062071H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-(2,2,2-trifluoroethyl)-
Database identifiers
- CAS
1048389-82-7- PubChem CID
- 45926014
- EC Number
- 967-488-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 267.2 · 267.2±40.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.89 · 3.89±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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