3-Bromobenzaldehyde - CAS 3132-99-8
Catalog: |
BB020877 |
Product Name: |
3-Bromobenzaldehyde |
CAS: |
3132-99-8 |
Synonyms: |
3-bromobenzaldehyde |
IUPAC Name: | 3-bromobenzaldehyde |
Description: | 3-Bromobenzaldehyde (CAS# 3132-99-8) is a substituted benzaldehyde, shown to have antibacterial activity against Mycobacterium tuberculosis. It is also a versatile building block, used in the synthesis of more complex pharmaceutical compounds. |
Molecular Weight: | 185.02 |
Molecular Formula: | C7H5BrO |
Canonical SMILES: | C1=CC(=CC(=C1)Br)C=O |
InChI: | InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H |
InChI Key: | SUISZCALMBHJQX-UHFFFAOYSA-N |
Boiling Point: | 228-230 °C |
Purity: | 97+ % |
Density: | 1.587 g/cm3 |
Appearance: | Clear colorless to yellow liquid after melting |
MDL: | MFCD00003345 |
LogP: | 2.26160 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113416138-A | Henry type reaction method of iron mediated aldehyde and bromonitromethane and product | 20210721 |
CN-113511990-A | N-protected (E) -2- (aminomethyl) -1, 3-diphenylprop-2-en-1-one derivatives and preparation thereof | 20210630 |
CN-113480429-A | Synthetic method of alpha-fluoroacrylate | 20210629 |
CN-113307806-A | Beta-carboline selective monoamine oxidase B inhibitor and pharmaceutical application thereof | 20210522 |
CN-113185468-A | Method for synthesizing quinazolinone through photocatalysis | 20210430 |
PMID | Publication Date | Title | Journal |
22412548 | 20120301 | {2-[(3-Bromo-benzyl-idene)amino]-5-chloro-phen-yl}(phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
21589601 | 20101127 | Ethyl 4-(3-bromo-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
20457464 | 20100801 | Synthesis of stilbene-fused 2'-hydroxychalcones and flavanones | Bioorganic chemistry |
21578740 | 20091107 | 3-(3-Bromo-phen-yl)-N-phenyl-oxirane-2-carboxamide | Acta crystallographica. Section E, Structure reports online |
21578251 | 20091003 | (E)-Ethyl 3-(3-bromo-phen-yl)-2-cyano-acrylate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.95238 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.95238 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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