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Basic Information
CAS No.: 1198-30-7
Name: 1-Isoquinolinecarbonitrile
Article Data: 5
Molecular Structure:
Molecular Structure of 1198-30-7 (1-Isoquinolinecarbonitrile)
Formula: C10H6N2
Molecular Weight: 154.171
Synonyms: Isoquinaldonitrile(6CI,7CI,8CI);1-Cyanoisoquinoline;NSC 203335;
EINECS: -0
Density: 1.211 g/cm3
Melting Point: 90-92 °C(lit.)
Boiling Point: 348.9 °C at 760 mmHg
Flash Point: 121.609 °C
Solubility: Insoluble in water.
Appearance: white solid
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-37/39
PSA: 36.68000
LogP: 2.10648
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Chemistry


IUPAC Name: Isoquinoline-1-carbonitrile
Molecular Formula: C10H6N2
Molecular Weight: 154.17 g/mol
Canonical SMILES: C1=CC=C2C(=C1)C=CN=C2C#N
InChI: InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
Product Categories: Heterocyclic Series; Quinolines, Isoquinolines & Quinoxalines; Quinoline&Isoquinoline; Quinolines; Quinolines, Isoquinolines & Quinoxalines; Building Blocks; Heterocyclic Building Blocks; Isoquinolines
XLogP3: 2.3
H-Bond Acceptor: 2
Index of Refraction: 1.654
Molar Refractivity: 46.67 cm3
Molar Volume: 127.2 cm3
Polarizability: 18.5×10-24 cm3
Surface Tension: 59.4 dyne/cm
Density: 1.21 g/cm3
Flash Point: 121.6 °C
Enthalpy of Vaporization: 59.33 kJ/mol
Boiling Point: 348.9 °C at 760 mmHg
Melting Point: 90-92 °C(lit.)
Vapour Pressure of 1-Isoquinolinecarbonitrile (CAS NO.1198-30-7): 4.88E-05 mmHg at 25 °C

Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
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. 
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup of 1-Isoquinolinecarbonitrile (CAS NO.1198-30-7): III

Specification

 1-Isoquinolinecarbonitrile (CAS NO.1198-30-7), its Synonyms are Isoquinoline-1-carbonitrile ; 1-Cyanoisoquinoline ; 1-Cyanoisoquinoline 98% ; Isoquinolin-4-ylamine ; Soquinoline-1-carbonitrile ; Isoquinaldinic nitrile .