2-Bromoisophthalaldehyde - CAS 79839-49-9
Catalog: |
BB036416 |
Product Name: |
2-Bromoisophthalaldehyde |
CAS: |
79839-49-9 |
Synonyms: |
2-bromobenzene-1,3-dicarbaldehyde |
IUPAC Name: | 2-bromobenzene-1,3-dicarbaldehyde |
Description: | 2-Bromoisophthalaldehyde (CAS# 79839-49-9) is used in the preparation of paclitaxel-mimicking alkaloids with anticancer activity. |
Molecular Weight: | 213.03 |
Molecular Formula: | C8H5BrO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)C=O)Br)C=O |
InChI: | InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H |
InChI Key: | RZUSSKMZLHKMHU-UHFFFAOYSA-N |
Boiling Point: | 298.02 °C at 760 mmHg |
Melting Point: | 139 °C |
Purity: | 95 % |
Density: | 1.652 g/cm3 |
MDL: | MFCD08461034 |
LogP: | 2.07410 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111499865-A | Synthesis method of phosphorus-containing polyimide | 20200527 |
CN-110698361-A | Preparation method and application of 2-bromoisophthalaldehyde condensed 2-aminofluorene bis-Schiff base corrosion inhibitor | 20190919 |
US-2021084896-A1 | Broad-spectrum synergistic antimicrobial compositions | 20190919 |
WO-2021055720-A1 | Broad-spectrum synergistic antimicrobial compositions | 20190919 |
CN-110627831-A | Bibiaryl acetal phosphines, their preparation and use in coupling reactions | 20190607 |
PMID | Publication Date | Title | Journal |
14961695 | 20040220 | A convenient new synthesis of benzo[a]pyrene | The Journal of organic chemistry |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.94729 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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