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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

Related Categories

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

Exclamation markHealth hazard
GHS07,GHS08

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

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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