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Tolcapone

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Tolcapone / CAS : 134308-13-7

Appearance yellow powder UN 0.0
HS 29147900 DG Class 0.0
Synonyms 3,4-Dihydroxyl-5-Nitrobenzyl,4'-Methylbenzenyl Ketone; (3,4-Dihydroxy-5-Nitrophenyl); Talcapone; (3,4-Dihydroxy-5-Nitrophenyl)(4-Methylphenyl)-Methanon; 3,4-Dihydroxy-4’-Methyl-5-Nitrobenzophenone; Tasmar
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Properties

Summary

Formula
C14H11NO5
Molecular Mass
273.24100
Exact Mass
273.06400
PSA
103.35000
Logp
3.06860
IUPAC
(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Nervous System Drugs

Chemical and Physical Properties

Melting Point
126-1280C
Density
1.419±0.06 g/cm3(Predicted)
Boiling Point
485.6±45.0 °C(Predicted)
Appearance
yellow powder

Export information

HS Code
29147900
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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