545414
4′-溴-3-氯苯丙酮
95%
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线性分子式:
BrC6H4COCH2CH2Cl
化学文摘社编号:
分子量:
247.52
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
250-784-5
MDL number:
产品名称
4′-溴-3-氯苯丙酮, 95%
InChI key
SYWQQEVHZPPLNQ-UHFFFAOYSA-N
InChI
1S/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2
SMILES string
ClCCC(=O)c1ccc(Br)cc1
assay
95%
mp
54-59 °C (lit.)
General description
4′-Bromo-3-chloropropiophenone, a halogenated propiophenone derivative, is also known as 1-(4-bromophenyl)-3-chloro-1-propanone. Its molecular geometry has been studied based on density functional theory (DFT) calculations, FTIR and FT Raman spectra.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
Theoretical and experimental studies of vibrational spectra and thermodynamical analysis of 3?-bromopropiophenone and 4?-bromo-3-chloropropiophenone.
Pandian U, et al.
Journal of Molecular Modeling, 17(7), 1587-1598 (2011)
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