2-Bromo-3-nitrobenzoic acid - CAS 573-54-6
Catalog: |
BB029659 |
Product Name: |
2-Bromo-3-nitrobenzoic acid |
CAS: |
573-54-6 |
Synonyms: |
2-bromo-3-nitrobenzoic acid |
IUPAC Name: | 2-bromo-3-nitrobenzoic acid |
Description: | 2-Bromo-3-nitrobenzoic Acid acts as a reagent for the synthesis and in the anticancer activity of dendrodolides A-D and their ester analogs. Also acts as a reagent for the preparation of bromophenazine antibacterial agents against Staphylococcus aureus and Staphylococcus epidermidis. |
Molecular Weight: | 246.01 |
Molecular Formula: | C7H4BrNO4 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O |
InChI: | InChI=1S/C7H4BrNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11) |
InChI Key: | WTDJEGSXLFHZPY-UHFFFAOYSA-N |
Boiling Point: | 337.7 °C at 760 mmHg |
Melting Point: | 184-186 °C |
Purity: | 98 % |
Density: | 1.892 g/cm3 |
Appearance: | Off-white to yellow crystalline powder |
MDL: | MFCD00074899 |
LogP: | 2.57870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
CN-110551117-A | Phenazine compound containing oxazole ring and application of phenazine compound as agricultural bactericide | 20191009 |
CN-110156703-A | As the phenazene derivative of TrxR1 inhibitor, intermediate product and its preparation method and application | 20190521 |
US-2020190126-A1 | Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) | 20181101 |
WO-2020093006-A1 | Methods of treating cancer in biomarker-identified patients with non-covalent inhibitors of cyclin-dependent kinase 7 (cdk7) | 20181101 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.93237 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.93237 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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