Product Name

  • Name

    3-Isoquinolinecarbonitrile

  • EINECS -0
  • CAS No. 26947-41-1
  • Article Data7
  • CAS DataBase
  • Density 1.21 g/cm3
  • Solubility Insoluble in water.
  • Melting Point 126-128 °C(lit.)
  • Formula C10H6N2
  • Boiling Point 348.9 °C at 760 mmHg
  • Molecular Weight 154.171
  • Flash Point 121.6 °C
  • Transport Information UN 3439
  • Appearance
  • Safety 26-37/39
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 26947-41-1 (3-Isoquinolinecarbonitrile)
  • Hazard Symbols HarmfulXn
  • Synonyms 3-Cyanoisoquinoline;
  • PSA 36.68000
  • LogP 2.10648

3-Isoquinolinecarbonitrile Chemical Properties

Following is the structure of 3-Isoquinolinecarbonitrile (CAS NO.26947-41-1):
                          
Empirical Formula: C10H6N2
Molecular Weight: 154.168 
Index of Refraction: 1.654
Molar Refractivity: 46.67 cm3
Molar Volume: 127.2 cm3
Density: 1.21 g/cm3
Flash Point: 121.6 °C
Polarizability: 18.5 10-24cm3
Surface Tension: 59.4 dyne/cm
Melting point: 126-128 °C(lit.)
Enthalpy of Vaporization: 59.33 kJ/mol
Boiling Point: 348.9 °C at 760 mmHg
Vapour Pressure: 4.88E-05 mmHg at 25 °C
Product Categories of 3-Isoquinolinecarbonitrile (CAS NO.26947-41-1): Quinolines, Isoquinolines & Quinoxalines; Quinolines, Isoquinolines & Quinoxalines; Building Blocks; Heterocyclic Building Blocks; Isoquinolines
SMILES: N#Cc2ncc1ccccc1c2
InChI: InChI=1/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
InChIKey: GXXBVBVNGMCFIU-UHFFFAOYAT

3-Isoquinolinecarbonitrile Safety Profile

Hazard Codes: HarmfulXn
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.
RIDADR: 3439
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III

3-Isoquinolinecarbonitrile Specification

 3-Isoquinolinecarbonitrile , its cas register number 26947-41-1. It also can be called Isoquinoline-3-carbonitrile ; Isoquinoline-3-carbonitrile,99% ; and 3-Isoquinolinecarbonitrile (6CI,8CI,9CI) .

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