5-Bromoindole-3-acetic acid - CAS 40432-84-6
Catalog: |
BB024499 |
Product Name: |
5-Bromoindole-3-acetic acid |
CAS: |
40432-84-6 |
Synonyms: |
2-(5-bromo-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(5-bromo-1H-indol-3-yl)acetic acid |
Description: | 5-Bromoindole-3-acetic Acid can be used as reactant/reagent for design and synthesis and evaluation of novel auxin mimic herbicides for weed control activity. |
Molecular Weight: | 254.08 |
Molecular Formula: | C10H8BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=CN2)CC(=O)O |
InChI: | InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14) |
InChI Key: | WTFGHMZUJMRWBK-UHFFFAOYSA-N |
Boiling Point: | 466 °C at 760 mmHg |
Melting Point: | 143-145 °C |
Purity: | 97 % |
Density: | 1.746 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | Off-white to beige crystalline powder |
Storage: | Refrigerator (+4 °C) |
MDL: | MFCD00005637 |
LogP: | 2.55750 |
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 |
EP-3884956-A1 | Methods for producing heme peroxidases | 20200324 |
EP-3885436-A1 | Polypeptides with peroxidase activity | 20200324 |
WO-2021191245-A1 | Polypeptides with peroxidase activity | 20200324 |
WO-2021191253-A1 | Methods for producing heme peroxidases | 20200324 |
WO-2021009990-A1 | Auxin-inducible degron system kit and use thereof | 20190716 |
PMID | Publication Date | Title | Journal |
24467709 | 20140313 | Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus | Journal of medicinal chemistry |
20075982 | 20100601 | In vivo characterization of horseradish peroxidase with indole-3-acetic acid and 5-bromoindole-3-acetic acid for gene therapy of cancer | Cancer gene therapy |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
17201406 | 20070111 | Discovery and refinement of a new structural class of potent peptide deformylase inhibitors | Journal of medicinal chemistry |
15143345 | 20040701 | Analysis of the horseradish peroxidase/indole-3-acetic acid combination in a three-dimensional tumor model | Cancer gene therapy |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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