154296
5-溴-2-甲氧基苯甲醛
99%
别名:
5-溴-邻茴香醛
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关于此项目
线性分子式:
BrC6H3(OCH3)CHO
化学文摘社编号:
分子量:
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
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
22. Stereochemistry of arylidenecyanoacetic acids and arylarylideneacetonitriles.
Journal of the Chemical Society, 119-124 (1953)
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
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