IUPAC Name: quinoline-3-carbonitrile
Empirical Formula: C10H6N2
Molecular Weight: 154.168g/mol
EINECS: 252-248-6
Structure of 3-Quinolinecarbonitrile (CAS NO.34846-64-5):
Index of Refraction: 1.654
Molar Refractivity: 46.67 cm3
Molar Volume: 127.2 cm3
Polarizability: 18.5×10-24cm3
Surface Tension: 59.4 dyne/cm
Density: 1.21 g/cm3
Flash Point: 115.5 °C
Enthalpy of Vaporization: 56.56 kJ/mol
Melting Point: 108-110 °C(lit.)
Boiling Point: 323.7 °C at 760 mmHg
Vapour Pressure: 0.000258 mmHg at 25°C
Product Categories: Quinolines, Quinazolines and derivatives;Quinoline&Isoquinoline;Building Blocks;Heterocyclic Building Blocks;Quinolines
Canonical SMILES: C1=CC=C2C(=C1)C=C(C=N2)C#N
InChI: InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H
InChIKey: QZZYYBQGTSGDPP-UHFFFAOYSA-N
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
R37:Irritating to respiratory system
R39:Danger of very serious irreversible effects.
WGK Germany: 3
3-Quinolinecarbonitrile , its cas register number is 34846-64-5. It also can be called Quinoline-3-carbonitrile ; EINECS 252-248-6 ; NSC 44644 . 3-Quinolinecarbonitrile (CAS NO.34846-64-5) is a kind of white to light yellow crystal powder which is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin.
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