134317
trans-2-Phenylcyclopropyl isocyanate
90%, remainder predominantly cis
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About This Item
Linear Formula:
C6H5C3H4NCO
CAS Number:
Molecular Weight:
159.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
90%
Form:
liquid
Quality Level
assay
90%
form
liquid
refractive index
n20/D 1.546 (lit.)
bp
75-76 °C/0.5 mmHg (lit.)
density
1.074 g/mL at 25 °C (lit.)
functional group
isocyanate, phenyl
SMILES string
O=C=N[C@@H]1C[C@H]1c2ccccc2
InChI
1S/C10H9NO/c12-7-11-10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
InChI key
DYUXVJAFBUZREW-VHSXEESVSA-N
Application
trans-2-Phenylcyclopropyl isocyanate was used as isocyante monomer during general solid-phase synthesis for identification of peroxisome proliferator-activated receptor ligands.
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
No data available
flash_point_c
No data available
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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K G Liu et al.
Bioorganic & medicinal chemistry letters, 11(22), 2959-2962 (2001-10-26)
We have developed a general solid-phase synthesis for identification of PPAR ligands. Synthesis of a 480-member library led to the identification of a potent PPAR gamma/delta dual agonist 23. Compound 23 showed good plasma exposure in rats and demonstrated antihyperglycemic
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 134317-5G | 04061837638879 |