5-Bromoindole-3-carboxaldehyde - CAS 877-03-2
Catalog: |
BB038602 |
Product Name: |
5-Bromoindole-3-carboxaldehyde |
CAS: |
877-03-2 |
Synonyms: |
5-bromo-1H-indole-3-carbaldehyde |
IUPAC Name: | 5-bromo-1H-indole-3-carbaldehyde |
Description: | 5-Bromoindole-3-carboxaldehyde (CAS# 877-03-2) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=CN2)C=O |
InChI: | InChI=1S/C9H6BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H |
InChI Key: | PEENKJZANBYXNB-UHFFFAOYSA-N |
Boiling Point: | 395.6 °C at 760 mmHg |
Melting Point: | 205-206 °C |
Purity: | 98 % |
Density: | 1.727 g/cm3 |
Appearance: | Beige to light brown crystalline powder |
Storage: | Room temperature. |
MDL: | MFCD00152016 |
LogP: | 2.74290 |
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-2021127452-A1 | Compounds for the treatment of bacterial infections and potentiation of antibiotics | 20191219 |
CN-110845474-A | Target I-type PRMT compound and preparation method and application thereof | 20191107 |
CN-110845474-B | Target I-type PRMT compound and preparation method and application thereof | 20191107 |
WO-2021088885-A1 | Compound targeting type i prmt, preparation method therefor, and application thereof | 20191107 |
EP-3753560-A1 | Compounds for the treatment of neuromuscular disorders | 20190619 |
PMID | Publication Date | Title | Journal |
18974644 | 20090101 | Investigation of antimicrobial activities of indole-3-aldehyde hydrazide/hydrazone derivatives | Chemotherapy |
21202400 | 20080426 | 5-Bromo-1H-indole-3-carbaldehyde thio-semicarbazone | Acta crystallographica. Section E, Structure reports online |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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