Basic information
- CAS
66000-41-7- Standard SMILES
Nc1ccn(-c2cccc(C(F)(F)F)c2)n1- InChIKey
LCLWEOIMXMEDKX-UHFFFAOYSA-N- Molecular formula
- C10H8F3N3
- Average molar mass
- 227.19 g/mol
- Monoisotopic mass
- 227.06703192
Names & identifiers
- Preferred name
- 1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
- English name
- 1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
- Molecular formula
- C10H8F3N3
- Molecular weight
- 227.19
Names & synonyms
1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine1H-Pyrazol-3-amine, 1-[3-(trifluoromethyl)phenyl]-1H-Pyrazol-3-amine, 1-(3-(trifluoromethyl)phenyl)-RefChem:423221961-213-066000-41-71-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOL-3-AMINE1-(3-trifluoromethyl-phenyl)-1H-pyrazol-3-ylamineSCHEMBL45043TQP1410DTXSID401226469
Show more names
1-(3-(trifluoromethyl)phenyl)-3-amino-1H-pyrazole
RCA00041AKOS011972481DB-180689CS-0233258EN300-132125G49661Z995041314
Database identifiers
- CAS
66000-41-7- PubChem CID
- 13626946
- DTXSID
DTXSID401226469- EC Number
- 961-213-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 325.2 · 325.2±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
7 records
Compound notes
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