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241601

3-Methoxyphenyl isocyanate

Name: 3-Methoxyphenyl isocyanate
Brand: ALDRICH

99%

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About This Item

Linear Formula:

CH₃OC₆H₄NCO

CAS Number:

18908-07-1

Molecular Weight:

149.15

EC Number:

242-658-3

UNSPSC Code:

12352100

PubChem Substance ID:

24854494

Beilstein/REAXYS Number:

775986

MDL number:

MFCD00002019

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Properties

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

Description

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

GHS08,GHS07

signalword

Danger

hcodes

H302 + H312 + H332,H315,H317,H319,H334,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

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

204.8 °F - closed cup

flash_point_c

96 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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A nickel (0) catalyzed cycloaddition of alkynes and isocyanates that affords pyrimidine-diones.

Tetrahedron, 62(32), 7552-7559 (2006)