433071
5-氯-1-茚酮
99%
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关于此项目
经验公式（希尔记法）:
C9H7ClO
化学文摘社编号:
分子量:
166.60
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
Form:
powder
产品名称
5-氯-1-茚酮, 99%
InChI
1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
SMILES string
Clc1ccc2C(=O)CCc2c1
InChI key
MEDSHTHCZIOVPU-UHFFFAOYSA-N
assay
99%
form
powder
mp
94-98 °C (lit.)
functional group
chloro
ketone
Quality Level
Application
5-氯-1-茚酮可作为制备5-氯-2-甲氧羰基-1-茚酮的起始试剂。它可用于制备重要的生物医学化合物，例如抗惊厥药，抗胆碱能药和二芳基磺酰脲类，具有抗实体瘤的潜在活性。
General description
5-氯-1-茚酮是5-卤-1-茚酮。参与取代吡啶的Irie′s合成。5-氯-1-茚酮具有稳定的三斜晶体结构，分子间作用力为C-H...O，C-H...Π, CO...Cl 和Π...Π型。
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - 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
Weak hydrogen-, halogen-and stacking Π....Π bonding in crystalline 5-chloro-1-indanone. An analysis by using X-ray diffraction, vibrational spectroscopy and theoretical methods.
Ruiz TP, et al.
Chemical Physics, 320(2), 164-180 (2006)
5, 6, 7-Trimethoxy-2, 3-dihydroinden-1-one.
Saeed A and Bolte M.
Acta Crystallographica Section E, Structure Reports Online, 63(5), 2757-2757 (2007)
Synthesis of 5-Chloro-2-methoxycarbonyl-1-indanone [J].
HU X-G, et al.
Fine Chemicals / ????, 2, 022-022 (2009)
A facile synthesis of 7-halo-5H-indeno [1, 2-b] pyridines and-pyridin-5-ones.
DuPriest MT, et al.
The Journal of Organic Chemistry, 51(11), 2021-2023 (1986)
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