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5961-55-7

Basic Information
CAS No.: 5961-55-7
Name: 4-METHOXY-1-NAPHTHONITRILE
Article Data: 22
Molecular Structure:
Molecular Structure of 5961-55-7 (4-METHOXY-1-NAPHTHONITRILE)
Formula: C12H9NO
Molecular Weight: 183.21
Synonyms: 1-Naphthonitrile,4-methoxy- (7CI,8CI);1-Cyano-4-methoxynaphthalene;4-Methoxy-1-naphthalenecarbonitrile;4-Methoxy-1-naphthonitrile;
EINECS: 227-734-6
Density: 1.16 g/cm3
Melting Point: 100-102 °C(lit.)
Boiling Point: 364.6 °C at 760 mmHg
Flash Point: 153.7 °C
Appearance: light brown powder or chunks
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 36
PSA: 33.02000
LogP: 2.72008
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Chemistry

IUPAC Name: 4-methoxynaphthalene-1-carbonitrile 
Empirical Formula: C12H9NO
Molecular Weight: 183.206 
EINECS: 227-734-6 
Structure of 1-Naphthalenecarbonitrile,4-methoxy- (CAS NO.5961-55-7):

Index of Refraction: 1.622
Molar Refractivity: 55.24 cm3
Molar Volume: 156.6 cm3
Polarizability: 21.89×10-24cm3
Surface Tension: 49.9 dyne/cm
Density: 1.16 g/cm3
Flash Point: 153.7 °C
Enthalpy of Vaporization: 61.08 kJ/mol 
Melting Point: 100-102 °C(lit.)
Boiling Point: 364.6 °C at 760 mmHg
Vapour Pressure: 1.67E-05 mmHg at 25°C 
Physical Appearance: light brown powder or chunks
Canonical SMILES: COC1=CC=C(C2=CC=CC=C21)C#N
InChI: InChI=1S/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3
InChIKey: FRCZUGOIGNQOID-UHFFFAOYSA-N
Synonyms of 1-Naphthalenecarbonitrile,4-methoxy- (CAS NO.5961-55-7): 1-Cyan-4-methoxynaphthalin ; 1-Naphthalenecarbonitrile,4-methoxy- ; 4-Methoxy-naphthalene-1-carbonitrile ; 1-Cyano-4-methoxynaphtalene;1-Cyano-4-met 

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
RIDADR: 3276
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III