2-Bromo-5-nitrobenzoic acid - CAS 943-14-6
Catalog: |
BB041271 |
Product Name: |
2-Bromo-5-nitrobenzoic acid |
CAS: |
943-14-6 |
Synonyms: |
2-bromo-5-nitrobenzoic acid |
IUPAC Name: | 2-bromo-5-nitrobenzoic acid |
Description: | 2-Bromo-5-nitrobenzoic acid (CAS# 943-14-6) is a useful research chemical. |
Molecular Weight: | 246.01 |
Molecular Formula: | C7H4BrNO4 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br |
InChI: | InChI=1S/C7H4BrNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11) |
InChI Key: | UVFWYVCDRKRAJH-UHFFFAOYSA-N |
Boiling Point: | 370.5 °C at 760 mmHg |
Melting Point: | 180-181 °C (lit.) |
Purity: | 98 % |
Density: | 1.892 g/cm3 |
Appearance: | Light beige to pale brown powder |
MDL: | MFCD00134558 |
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 |
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PMID | Publication Date | Title | Journal |
18266373 | 20080305 | Diastereo- and enantioselective hydrogenative aldol coupling of vinyl ketones: design of effective monodentate TADDOL-like phosphonite ligands | Journal of the American Chemical Society |
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: | 2.1 |
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