3-Bromo-4-methoxybenzaldehyde - CAS 34841-06-0
Catalog: |
BB022320 |
Product Name: |
3-Bromo-4-methoxybenzaldehyde |
CAS: |
34841-06-0 |
Synonyms: |
3-bromo-4-methoxybenzaldehyde |
IUPAC Name: | 3-bromo-4-methoxybenzaldehyde |
Description: | 3-Bromo-4-methoxybenzaldehyde (CAS# 34841-06-0) is used in the synthesis of PDE4D allosteric modulators. 3-Bromo-4-methoxybenzaldehyde is also used to synthesize chalcones, as inhibitors for topoisomerase I and cathepsin B/L. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=O)Br |
InChI: | InChI=1S/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
InChI Key: | QMPNFQLVIGPNEI-UHFFFAOYSA-N |
Boiling Point: | 108-110 °C / 1 mmHg |
Melting Point: | 49-54 °C |
Purity: | 98 % |
Density: | 1.522 g/cm3 |
Appearance: | Crystals |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00016599 |
LogP: | 2.27020 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111808029-A | Preparation method of PDE4 inhibitor clobiplane | 20200831 |
WO-2021058979-A1 | Therapy | 20190925 |
WO-2020163541-A1 | Methods and compositions for modulating splicing | 20190205 |
WO-2020052774-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
WO-2020053249-A1 | Flavone compounds for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
PMID | Publication Date | Title | Journal |
22199983 | 20111201 | (2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4,4''-difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21754769 | 20110601 | (1E,2E)-1,2-Bis(3-bromo-4-meth-oxy-benzyl-idene)hydrazine | Acta crystallographica. Section E, Structure reports online |
21523033 | 20110112 | (2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(pyridin-2-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21577675 | 20090829 | N'-(3-Bromo-4-methoxy-benzyl-idene)nicotinohydrazide monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.96294 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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