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4-Nitrothioanisole

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4-Nitrothioanisole / CAS : 701-57-5

Appearance Light yellow to brown solid UN 0
HS 29420000 DG Class 0
Synonyms 1-Methylsulfanyl-4-Nitrobenzene; Benzene, 1-(Methylthio)-4-Nitro-; 4-Nitro Thioanisole; Methyl 4-Nitrophenylsulphide; 4-Nitrothioanisole / Methyl 4-Nitrophenyl Sulphide; P-(Methylthio)Nitrobenzene; P-Nitrothioanisole; Methyl(4-Nitrophenyl)Sulfane; P-Nitrophenyl Methyl Sulfide; 1-Nitro-4-(Methylthio)Benzene
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Properties

Summary

Formula
C7H7NO2S
Molecular Mass
169.20100
Exact Mass
169.02000
PSA
71.12000
Logp
2.83990
IUPAC
1-methylsulfanyl-4-nitrobenzene
SMILES
CSC1=CC=C(C=C1)[N+](=O)[O-]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
66-69 °C(lit.)
Density
1.27 g/cm3
Boiling Point
140 °C / 2mmHg
Flash Point
57ºC
Appearance
Light yellow to brown solid

Export information

HS Code
29420000
Export Rebate
13%
UN No.
0
DG-Class
0
Risk Code
R20/21/22
Safety Label
Xi

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