5-Amino-4-bromo-3-methylpyrazole hydrobromide - CAS 167683-86-5
Catalog: |
BB012411 |
Product Name: |
5-Amino-4-bromo-3-methylpyrazole hydrobromide |
CAS: |
167683-86-5 |
Synonyms: |
4-bromo-5-methyl-1H-pyrazol-3-amine;hydrobromide |
IUPAC Name: | 4-bromo-5-methyl-1H-pyrazol-3-amine;hydrobromide |
Description: | 5-Amino-4-bromo-3-methylpyrazole hydrobromide (CAS# 167683-86-5) is a compound useful in organic synthesis. |
Molecular Weight: | 256.93 |
Molecular Formula: | C4H6BrN3 · HBr |
Canonical SMILES: | CC1=C(C(=NN1)N)Br.Br |
InChI: | InChI=1S/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H |
InChI Key: | UGCOULAJNKWOPX-UHFFFAOYSA-N |
Boiling Point: | 337.9 °C at 760 mmHg |
Density: | 1.838 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00053023 |
LogP: | 2.60210 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2003078277-A1 | Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same | 19991213 |
US-2005004147-A1 | Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it | 19991213 |
US-2005004159-A1 | Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it | 19991213 |
US-6927221-B2 | Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it | 19991213 |
US-6951865-B2 | Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same | 19991213 |
Complexity: | 87.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.89862 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.90067 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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