| CAS Number | 1374394-78-1 |
| Catalog Number | AG009WJC(AGN-PC-0WAN9D) |
| Chemical Name | 3-Bromo-1H-pyrazol-4-amine |
| IUPAC Name | 5-bromo-1H-pyrazol-4-amine |
| InChI | InChI=1S/C3H4BrN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7) |
| InChI Key | AEQPCNLUSNRCHM-UHFFFAOYSA-N |
| MDL Number | MFCD26518979 |
| Molecular Formula | C3H4BrN3 |
| Molecular Weight | 161.9880 |
| SMILES | Nc1c(Br)n[nH]c1 |
| Synonyms | 3-Bromo-1H-pyrazol-4-amine,
1374394-78-1,
5-bromo-1H-pyrazol-4-amine,
SCHEMBL1762079,
KS-00000S2A,
MFCD26518979,
ZINC80499372,
AKOS022176666,
CS-W005906,
DS-7994,
AK145116,
AJ-123975,
ST24041820,
|
| Complexity | 67.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.99g/mol |
| Monoisotopic Mass | 160.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number