478601
2,6-Diethylphenyl isocyanate
98%
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About This Item
Linear Formula:
(C2H5)2C6H3NCO
CAS Number:
Molecular Weight:
175.23
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
assay
98%
refractive index
n20/D 1.528 (lit.)
bp
115 °C/1 mmHg (lit.)
density
1.014 g/mL at 25 °C (lit.)
SMILES string
CCc1cccc(CC)c1N=C=O
InChI
1S/C11H13NO/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3
InChI key
AUSRFKVPUCQCCN-UHFFFAOYSA-N
Gene Information
human ... GABRA1(2554)
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
219.2 °F - closed cup
flash_point_c
104 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Radoslaw Laufer et al.
Bioorganic & medicinal chemistry, 22(17), 4968-4997 (2014-07-22)
TTK kinase was identified by in-house siRNA screen and pursued as a tractable, novel target for cancer treatment. A screening campaign and systematic optimization, supported by computer modeling led to an indazole core with key sulfamoylphenyl and acetamido moieties at
Jerry O Ebalunode et al.
Bioorganic & medicinal chemistry, 17(14), 5133-5138 (2009-06-13)
Current anesthetics, especially the inhaled ones, have troublesome side effects and may be associated with durable changes in cognition. It is therefore highly desirable to develop novel chemical entities that reduce these effects while preserving or enhancing anesthetic potency. In