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
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
方案
99%
表单
solid
mp
116-119 °C (lit.)
SMILES字符串
COc1ccc(Br)cc1C=O
InChI
1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
InChI key
IJIBRSFAXRFPPN-UHFFFAOYSA-N
一般描述
The spectral properties of 5-Bromo-2-methoxybenzaldehyde have been studied.
应用
5-Bromo-2-methoxybenzaldehyde was used in the preparation of trans-5-bromo-2-methoxybenzylidenecyanoacetic acid.
警示用语：
Warning
危险声明
预防措施声明
危险分类
Acute Tox. 4 Oral
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Gloves, type N95 (US)
历史批次信息供参考:
分析证书(COA)
Lot/Batch Number
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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