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241598

Sigma-Aldrich

2-Methoxyphenyl isocyanate

99%

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About This Item

Linear Formula:
CH3OC6H4NCO
CAS Number:
700-87-8
Molecular Weight:
149.15
EC Number:
211-853-5
MDL number:
MFCD00002004
UNSPSC Code:
12352100
PubChem Substance ID:
24854492

assay

99%

refractive index

n20/D 1.5414 (lit.)

bp

94.8-95.5 °C/10 mmHg (lit.)

density

1.122 g/mL at 25 °C (lit.)

SMILES string

COc1ccccc1N=C=O

InChI

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

InChI key

SUVCZZADQDCIEQ-UHFFFAOYSA-N

General description

The IR and Raman spectra of 2-methoxyphenyl isocyanate was studied.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

No data available

flash_point_c

No data available

ppe

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Jayashree Yenagi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 91, 261-268 (2012-03-03)
IR and Raman spectral measurements in the region 3500-400/50 cm(-1) have been made for the liquid samples of 2-Methoxyphenyl isocyanate and 2-Methoxyphenyl isothiocyanate. A complete assignment of the measured bands has been proposed as aided by conformational and vibration analyses

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