2-Bromo-4-nitroaniline - CAS 13296-94-1
Catalog: |
BB007663 |
Product Name: |
2-Bromo-4-nitroaniline |
CAS: |
13296-94-1 |
Synonyms: |
2-bromo-4-nitroaniline; 2-bromo-4-nitroaniline |
IUPAC Name: | 2-bromo-4-nitroaniline |
Description: | 2-Bromo-4-nitroaniline (CAS# 13296-94-1) is used as a reagent in the synthesis of novel tetrahydrothienopyridopyrimidine derivatives which exhibit antibacterial and antifungal activity against a variety of microorganisms in vitro. Also used as a reagent in synthesis of dialkylimidazole inhibitors of Trypanosoma cruzi sterol 14α-demethylase as anti-Chagas disease agents. |
Molecular Weight: | 217.02 |
Molecular Formula: | C6H5BrN2O2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])Br)N |
InChI: | InChI=1S/C6H5BrN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2 |
InChI Key: | CGPPWNTVTNCHDO-UHFFFAOYSA-N |
Boiling Point: | 351.8 °C |
Density: | 1.812 g/cm3 |
Appearance: | Yellow solid |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00025152 |
LogP: | 3.04390 |
GHS Hazard Statement: | H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112500713-A | Continuous preparation method of azo disperse dye | 20201203 |
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PMID | Publication Date | Title | Journal |
21582149 | 20090206 | 2-Bromo-4-nitro-aniline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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