253707
2-Methoxyphenyl isothiocyanate
98%
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About This Item
Linear Formula:
CH3OC6H4NCS
CAS Number:
Molecular Weight:
165.21
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
Form:
liquid
InChI
1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
SMILES string
COc1ccccc1N=C=S
InChI key
QKAOOWJWWKWWOZ-UHFFFAOYSA-N
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.)
General description
IR and Raman spectral measurements of liquid samples of 2-methoxyphenyl isothiocyanate have been investigated.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B - STOT SE 3
target_organs
Respiratory system
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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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