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253707

Sigma-Aldrich

2-Methoxyphenyl isothiocyanate

98%

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About This Item

Linear Formula:
CH3OC6H4NCS
CAS Number:
Molecular Weight:
165.21
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

98%

form

liquid

refractive index

n20/D 1.6443 (lit.)

bp

264-266 °C (lit.)

density

1.196 g/mL at 25 °C (lit.)

SMILES string

COc1ccccc1N=C=S

InChI

1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3

InChI key

QKAOOWJWWKWWOZ-UHFFFAOYSA-N

General description

IR and Raman spectral measurements of liquid samples of 2-methoxyphenyl isothiocyanate have been investigated.

Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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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