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241601

Sigma-Aldrich

3-Methoxyphenyl isocyanate

99%

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About This Item

Linear Formula:
CH3OC6H4NCO
CAS Number:
Molecular Weight:
149.15
Beilstein:
775986
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

99%

refractive index

n20/D 1.543 (lit.)

bp

94-95 °C/10 mmHg (lit.)

density

1.138 g/mL at 25 °C (lit.)

SMILES string

COc1cccc(c1)N=C=O

InChI

1S/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3

InChI key

NPOVTGVGOBJZPY-UHFFFAOYSA-N

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Application

3-Methoxyphenyl isocyanate was used in the synthesis of 1,3-bis(3-methoxyphenyl)-6-methyl-5-(trimethylsilyl)pyrimidine-2,4(1H,3H)-dione.

Pictograms

Health hazardExclamation mark

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)

204.8 °F - closed cup

Flash Point(C)

96 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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A nickel (0) catalyzed cycloaddition of alkynes and isocyanates that affords pyrimidine-diones.
Tetrahedron, 62(32), 7552-7559 (2006)

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