154296
5-Bromo-2-methoxybenzaldehyde
99%
Synonym(s):
5-Bromo-o-anisaldehyde
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About This Item
Linear Formula:
BrC6H3(OCH3)CHO
CAS Number:
Molecular Weight:
215.04
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
246-564-3
MDL number:
Assay:
99%
Form:
solid
InChI key
IJIBRSFAXRFPPN-UHFFFAOYSA-N
InChI
1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
SMILES string
COc1ccc(Br)cc1C=O
assay
99%
form
solid
mp
116-119 °C (lit.)
General description
The spectral properties of 5-Bromo-2-methoxybenzaldehyde have been studied.
Application
5-Bromo-2-methoxybenzaldehyde was used in the preparation of trans-5-bromo-2-methoxybenzylidenecyanoacetic acid.
signalword
Warning
hcodes
pcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 106, 262-274 (2013-02-19)
The (FT-IR and FT-Raman) spectral properties of 5-bromo-2-methoxybenzaldehyde (BMB) are studied using density functional theory (DFT) employing B3LYP/6-311++G (d) and B3LYP/6-311++G (d,p) levels of theory. There are four conformers, C1, C2, C3, and C4 for this molecule. The computational results
22. Stereochemistry of arylidenecyanoacetic acids and arylarylideneacetonitriles.
Journal of the Chemical Society, 119-124 (1953)
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