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Name |
3-Isoquinolinecarbonitrile |
EINECS | -0 |
CAS No. | 26947-41-1 | Density | 1.21 g/cm3 |
PSA | 36.68000 | LogP | 2.10648 |
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 | N/A |
Safety | 26-37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
3-Cyanoisoquinoline; |
Article Data | 7 |
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
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.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 3439
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III
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) .