所有图片(1)
About This Item
线性分子式:
F3C6H2CO2H
CAS号:
分子量:
176.09
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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质量水平
方案
99%
mp
130-131 °C (lit.)
官能团
carboxylic acid
fluoro
SMILES字符串
OC(=O)c1c(F)ccc(F)c1F
InChI
1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChI key
MGUPHQGQNHDGNK-UHFFFAOYSA-N
一般描述
Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid was studied.
警示用语：
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
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
dust mask type N95 (US), Eyeshields, Gloves
V Mukherjee et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(4), 787-794 (2010-09-11)
Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid molecule have been recorded in the regions 50-4000cm⁻¹ and 400-4000cm⁻¹, respectively. Vibrational frequencies have been calculated by employing DFT method in dimeric form in optimum state. SQM force field has also been
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