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7-Methoxy-1-Naphthylacetonitrile

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7-Methoxy-1-Naphthylacetonitrile / CAS : 138113-08-3

Appearance Yellowish brown solid UN 3439
HS 0.0 DG Class 6.1
Synonyms 1-Cyanomethyl-7-Methoxynaphthalene; 2-(7-Methoxy-1-Naphthyl)Acetonitrile; 7-Methoxy-1-Naphthaleneacetinitrile; 2-(7-Methoxynaphthalen-1-Yl)Acetonitrile; Agomelatine Intermediate 1; N-[2-(7-Methoxy-1-Naphthyl)Ethyl]Acetamide; Agomelatine Intermediate A
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Properties

Summary

Formula
C13H11NO
Molecular Mass
197.23
Exact Mass
197.08400
PSA
33.02000
Logp
2.91448
IUPAC
2-(7-methoxynaphthalen-1-yl)acetonitrile
SMILES
COC1=CC2=C(C=CC=C2CC#N)C=C1

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
81-83°C
Density
1.135±0.06 g/cm3(Predicted)
Boiling Point
374.3±17.0 °C(Predicted)
Flash Point
157.7ºC
Appearance
Yellowish brown solid

Export information

HS Code
0.0
UN No.
3439
DG-Class
6.1

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