| CAS Number | 67460-86-0 |
| Catalog Number | AG00IL4V(AGN-PC-00NNHJ) |
| Chemical Name | 1H-Pyrazole, 3,5-dibromo- |
| IUPAC Name | 3,5-dibromo-1H-pyrazole |
| InChI | InChI=1S/C3H2Br2N2/c4-2-1-3(5)7-6-2/h1H,(H,6,7) |
| InChI Key | UQFIWKBFQXGMJD-UHFFFAOYSA-N |
| MDL Number | MFCD00159645 |
| Molecular Formula | C3H2Br2N2 |
| Molecular Weight | 225.8694 |
| SMILES | BrC1=CC(Br)=NN1 |
| Synonyms | 3,5-dibromo-1H-pyrazole,
67460-86-0,
3,5-Dibromopyrazole,
dibromopyrazole,
SCHEMBL175351,
1H-Pyrazole, 3,5-dibromo-,
MFCD00159645,
ZINC34129841,
AKOS023566129,
NE49071,
KS-0000086C,
AS-53940,
CS-0051603,
|
| Complexity | 68 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.856g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.871g/mol |
| Monoisotopic Mass | 223.858g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number