InChI
1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChI key
KJCVRFUGPWSIIH-UHFFFAOYSA-N
SMILES string
Oc1cccc2ccccc12
vapor density
4.5 (120 °C, vs air)
vapor pressure
1 mmHg ( 94 °C)
assay
≥98%
autoignition temp.
1007 °F
expl. lim.
5 %
IVD
for in vitro diagnostic use
color
pink to brown
bp
278-280 °C (lit.)
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signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 3 - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1A - STOT SE 2 Oral - STOT SE 3
target_organs
Kidney, Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
flash_point_f
257.0 °F - closed cup
flash_point_c
125 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
法规信息
新产品
此项目有
Keith L Constantine et al.
Journal of medicinal chemistry, 51(19), 6225-6229 (2008-09-06)
Fragment-like inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK2) include 5-hydroxyisoquinoline (IC50 approximately 85 microM). Modeling studies identified four possible binding modes for this compound. Two-dimensional (1)H-(1)H NOESY data obtained with selectively protonated samples of MK2 in complex with
Claire Tacon et al.
Bioorganic & medicinal chemistry, 20(2), 893-902 (2011-12-27)
Herein we report on the semisynthesis and biological evaluation of β-amino alcohol derivatives of the natural product totarol and other simple aromatic systems. All β-amino alcohol derivatives of totarol exhibited higher antiplasmodial activity than totarol [IC(50): 11.69 μM (K1, chloroquine
Kunal Roy et al.
European journal of medicinal chemistry, 44(5), 1941-1951 (2008-12-27)
A series of naphthalene and non-naphthalene derivatives (n=42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The analyses were performed using electronic, spatial, shape and thermodynamic descriptors to
Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the
Rafael Gozalbes et al.
Bioorganic & medicinal chemistry, 18(19), 7078-7084 (2010-09-03)
Solubility plays a very important role in the selection of compounds for drug screening. In this context, a QSAR model was developed for predicting water solubility of drug-like compounds. First, a set of relevant parameters for establishing a drug-like chemical
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