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134317

Sigma-Aldrich

trans-2-Phenylcyclopropyl isocyanate

90%, remainder predominantly cis

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About This Item

Linear Formula:
C6H5C3H4NCO
CAS Number:
63009-74-5
Molecular Weight:
159.18
MDL number:
MFCD00001273
UNSPSC Code:
12352100
PubChem Substance ID:
24848144
NACRES:
NA.22

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.)

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.

accessory

Product No.
Description
Pricing

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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

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