| CAS Number | 1995071-75-4 |
| Catalog Number | AG002C5B(AGN-PC-0WNH4N) |
| Chemical Name | 1H-Pyrazol-3-amine, 1-(trifluoromethyl)- |
| IUPAC Name | 1-(trifluoromethyl)pyrazol-3-amine |
| InChI | InChI=1S/C4H4F3N3/c5-4(6,7)10-2-1-3(8)9-10/h1-2H,(H2,8,9) |
| InChI Key | WLAVTCUAYOCGCM-UHFFFAOYSA-N |
| MDL Number | MFCD30188213 |
| Molecular Formula | C4H4F3N3 |
| Molecular Weight | 151.0899 |
| SMILES | NC1=NN(C=C1)C(F)(F)F |
| Synonyms | 1-(trifluoromethyl)-1H-pyrazol-3-amine,
1995071-75-4,
SCHEMBL2148852,
KS-000008AA,
MFCD30188213,
ZINC118161426,
AS-53967,
CS-0052790,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.092g/mol |
| Monoisotopic Mass | 151.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number