5-Amino-3-(4-bromophenyl)pyrazole - CAS 78583-82-1
Catalog: |
BB036196 |
Product Name: |
5-Amino-3-(4-bromophenyl)pyrazole |
CAS: |
78583-82-1 |
Synonyms: |
5-(4-bromophenyl)-1H-pyrazol-3-amine |
IUPAC Name: | 5-(4-bromophenyl)-1H-pyrazol-3-amine |
Description: | 5-Amino-3-(4-bromophenyl)pyrazole (CAS# 78583-82-1) is a useful research chemical. |
Molecular Weight: | 238.08 |
Molecular Formula: | C9H8BrN3 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=NN2)N)Br |
InChI: | InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13) |
InChI Key: | FTCWIBNIYIEHDT-UHFFFAOYSA-N |
Boiling Point: | 485.1 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.645 g/cm3 |
MDL: | MFCD00558911 |
LogP: | 3.00260 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111808259-A | 3D printing silicone rubber and preparation method and application thereof | 20200716 |
CN-111808259-B | 3D printing silicone rubber and preparation method and application thereof | 20200716 |
US-2020061068-A1 | Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives | 20170313 |
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PMID | Publication Date | Title | Journal |
17008750 | 20061001 | 3-[5-(4-Bromophenyl)-1H-pyrazol-3-ylamino]-5,5-dimethylcyclohex-2-en-1-one-(Z)-3-(4-bromophenyl)-3-chloroacrylonitrile (2/1): a stoichiometric cocrystal of a reaction product with one of its early precursors | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.99016 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.99016 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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