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4-Methoxyphenyl isothiocyanate

98%

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About This Item

Linear Formula:
CH3OC6H4NCS
CAS Number:
2284-20-0
Molecular Weight:
165.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854857
EC Number:
218-921-3
Beilstein/REAXYS Number:
606967
MDL number:
MFCD00011676
Assay:
98%
Form:
liquid
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Quality Segment

100

assay

98%

form

liquid

refractive index

n20/D 1.653 (lit.)

bp

280-281 °C (lit.)

mp

18 °C (lit.)

density

1.196 g/mL at 25 °C (lit.)

functional group

isothiocyanate

SMILES string

COc1ccc(cc1)N=C=S

InChI

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

InChI key

VRPQCVLBOZOYCG-UHFFFAOYSA-N

Application

4-Methoxyphenyl isothiocyanate has been used in the synthesis of:
  • 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one
  • 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides

pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

Hazard Classifications

Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

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

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