15702
环庚三烯酚酮
别名:
2-羟基-2,4,6-环庚三烯-1-酮
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关于此项目
经验公式（希尔记法）:
C7H6O2
化学文摘社编号:
分子量:
122.12
EC Number:
208-577-2
UNSPSC Code:
12352200
NACRES:
NA.21
Beilstein/REAXYS Number:
1904978
MDL number:
Assay:
≥98.0% (GC)
Form:
solid
Quality Level
InChI
1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChI key
MDYOLVRUBBJPFM-UHFFFAOYSA-N
SMILES string
OC1=CC=CC=CC1=O
assay
≥98.0% (GC)
form
solid
impurities
≤20 mg/kg heavy metals, ≤3880 mg/kg residual solvents (cyclohexane) (GLC-HS), ≤5000 mg/kg residual solvents (pentane, MTBE) (GLC-HS), ≤890 mg/kg residual solvents (toluene) (GLC-HS)
bp
80-84 °C/0.1 mmHg (lit.)
suitability
suitable for manufacturing use
storage temp.
2-8°C
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Analysis Note
remarks on GC:
acetic acid ≤5000 mg/kg; dichloroacetic acid: determine
solubility
0.25g in 5 ml ethanol, clear to very faintly turbid
solubility color:
colorless to very dark yellow and colorless to very dark greenish yellow and colorless to very dark brownish yellow and colorless to very dark orange
acetic acid ≤5000 mg/kg; dichloroacetic acid: determine
solubility
0.25g in 5 ml ethanol, clear to very faintly turbid
solubility color:
colorless to very dark yellow and colorless to very dark greenish yellow and colorless to very dark brownish yellow and colorless to very dark orange
signalword
Danger
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1B
存储类别
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
233.6 °F - closed cup
flash_point_c
112 °C - closed cup
Jessica L Fullagar et al.
Chemical communications (Cambridge, England), 49(31), 3197-3199 (2013-03-14)
Tropolone emerged from the screening of a chelator fragment library (CFL) as an inhibitor of the Zn(2+)-dependent virulence factor, Pseudomonas aeruginosa elastase (LasB). Based on this initial hit, a series of substituted tropolone-based LasB inhibitors was prepared, and a compound
Eric Sabondjian et al.
Contrast media & molecular imaging, 7(1), 76-84 (2012-02-22)
A challenge with cardiac cell therapy is determining the location of cells relative to infarct tissue. As cells are viable following ¹¹¹In-labeling, and first-pass CT imaging can identify regions of myocardial infarction, we evaluated the feasibility of a SPECT/CT system
Christine Meck et al.
Organic letters, 14(23), 5988-5991 (2012-11-22)
α-Hydroxytropolones are a class of molecules with therapeutic potential against several human diseases. However, structure-activity relationship studies on these molecules have been limited due to a scarcity of efficient synthetic methods to access them. It is demonstrated herein that α-hydroxytropolones
Tomasz Borowski et al.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 17(6), 881-890 (2012-05-25)
6-Hydroxymethyl-6-methylcyclohexa-2,4-dienone is a mechanistic probe which when incubated with an extradiol dioxygenase yields a 2-tropolone product. This observation was originally interpreted as evidence supporting a direct heterolytic 1,2-alkenyl migration mechanism for a ring expansion reaction catalyzed by this class of
Jack Davison et al.
Proceedings of the National Academy of Sciences of the United States of America, 109(20), 7642-7647 (2012-04-18)
A gene cluster encoding the biosynthesis of the fungal tropolone stipitatic acid was discovered in Talaromyces stipitatus (Penicillium stipitatum) and investigated by targeted gene knockout. A minimum of three genes are required to form the tropolone nucleus: tropA encodes a
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