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About This Item
Linear Formula:
CH3OC6H4NCS
CAS Number:
Molecular Weight:
165.21
Beilstein:
606967
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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Related Categories
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
228.2 °F - closed cup
Flash Point(C)
109 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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