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4-Nitrobenzyl Hydrogen Malonate

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4-Nitrobenzyl Hydrogen Malonate / CAS : 77359-11-6

Appearance White to light yellow powder UN -
HS 29171900 DG Class -
Synonyms 3-[(4-Nitrophenyl)Methoxy]-3-Oxopropanoic Acid; Mono-4-Nitrobenzyl Malonate; 3-((4-Nitrobenzyl)Oxy)-3-Oxopropanoic Acid
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Properties

Summary

Formula
C10H9NO6
Molecular Mass
239.18200
Exact Mass
239.04300
PSA
109.42000
Logp
1.63590
IUPAC
3-[(4-nitrophenyl)methoxy]-3-oxopropanoic acid
SMILES
C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Agrochemicals > Pesticide Intermediates

Chemical and Physical Properties

Melting Point
109 °C
Density
1.447 g/cm3
Boiling Point
455.8ºC
Appearance
White to light yellow powder
Acidity and Basicity
acidness

Export information

HS Code
29171900
Export Rebate
13%
Risk Code
R20/21/22; R36/37/38
Safety Label
Xi

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