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Fórmula empírica (notación de Hill):
C9H7N
Número CAS:
Peso molecular:
129.16
EC Number:
202-051-6
UNSPSC Code:
12352103
MDL number:
Beilstein/REAXYS Number:
107477
vapor density
4.5 (vs air)
vapor pressure
0.07 mmHg ( 20 °C)
assay
~98%
form
liquid
autoignition temp.
896 °F
color
clear brown
refractive index
n20/D 1.625 (lit.)
bp
113-114 °C/11 mmHg (lit.), 237 °C (lit.)
mp
−17-−13 °C (lit.)
density
1.093 g/mL at 25 °C (lit.)
SMILES string
c1ccc2ncccc2c1
InChI
1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChI key
SMWDFEZZVXVKRB-UHFFFAOYSA-N
signalword
Danger
Hazard Classifications
Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Aquatic Chronic 2 - Carc. 1B - Eye Irrit. 2 - Muta. 2 - Skin Irrit. 2
Clase de almacenamiento
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 2
flash_point_f
213.8 °F - closed cup
flash_point_c
101 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Margarita A Gonzalez et al.
Inorganic chemistry, 51(21), 11930-11940 (2012-10-24)
The unusual role of CO as a signaling molecule in several physiological pathways has spurred research in the area of synthesizing new CO-releasing molecules (CORMs) as exogenous CO donors. Auxiliary control on CO delivery can be achieved if CO can
Yoshiaki Yasutake et al.
FEBS letters, 588(1), 105-110 (2013-11-26)
The cytochrome P450 RauA from Rhodococcus erythropolis JCM 6824 catalyzes the hydroxylation of a nitrogen atom in the quinolone ring of aurachin, thereby conferring strong antibiotic activity on the aurachin alkaloid. Here, we report the crystal structure of RauA in
Rainer E Martin et al.
ChemMedChem, 8(4), 569-576 (2012-12-12)
Potency with potential: 2-Phenoxy-nicotinamides were identified as potent agonists at the GPBAR1 receptor, a target in the treatment of obesity, type 2 diabetes and metabolic syndrome. Extensive structure-activity relationship studies supported by homology modeling and docking resulted in the identification



