| CAS Number | 1194377-09-7 |
| Catalog Number | AG000P7F(AGN-PC-0WAJCU) |
| Chemical Name | 4-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole |
| IUPAC Name | 4-iodo-1-methyl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C5H4F3IN2/c1-11-2-3(9)4(10-11)5(6,7)8/h2H,1H3 |
| InChI Key | ZQDJDRAUUFYKJA-UHFFFAOYSA-N |
| MDL Number | MFCD11867867 |
| Molecular Formula | C5H4F3IN2 |
| Molecular Weight | 275.9983 |
| SMILES | CN1N=C(C(F)(F)F)C(I)=C1 |
| Synonyms | 1194377-09-7,
4-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole,
4-iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole,
1H-Pyrazole, 4-iodo-1-methyl-3-(trifluoromethyl)-,
SCHEMBL2611115,
CTK6I2014,
MFCD11867867,
SBB074068,
STL415497,
ZINC35323449,
AKOS015920937,
FS-6163,
MCULE-6069131481,
4-iodo-1-methyl-3-(trifluoromethyl)pyrazole,
CS-0078958,
K-1371,
4-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole, AldrichCPR,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.001g/mol |
| Monoisotopic Mass | 275.937g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number