| Identification | More | [Name]
1-Isoquinolinecarbonitrile | [CAS]
1198-30-7 | [Synonyms]
1-CYANOISOQUINOLINE
1-ISOQUINOLINECARBONITRILE
ISOQUINOLINE-1-CARBONITRILE
TIMTEC-BB SBB002487
1-Cyanoisoquinoline 98%
ISOQUINOLIN-4-YLAMINE
soquinoline-1-carbonitrile
Isoquinaldinic nitrile
Isoquinaldonitrile | [EINECS(EC#)]
627-280-2 | [Molecular Formula]
C10H6N2 | [MDL Number]
MFCD00134166 | [Molecular Weight]
154.17 | [MOL File]
1198-30-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
90-92 °C (lit.) | [Boiling point ]
348.9±15.0 °C(Predicted) | [density ]
1.21±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
-0.48±0.30(Predicted) | [Appearance]
White to off-white Solid | [Water Solubility ]
Insoluble in water. | [BRN ]
119104 | [InChI]
InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H | [InChIKey]
HJHXYSBRTVFEDD-UHFFFAOYSA-N | [SMILES]
C1(C#N)C2=C(C=CC=C2)C=CN=1 | [CAS DataBase Reference]
1198-30-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
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 ]
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 ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2933499090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
1-Isoquinolinecarbonitrile may be used as starting reagent in the syntheses of imidazo[5,1-a]isoquinolines. | [Preparation]
Phosphoryl chloride (0.54 g, 3.5 mmol) in chloroform (5 mL) was added dropwise to a solution of the requisite carbaldoxime (0.2 g, 1.2 mmol) in chloroform (10 mL) under ice-cooling. The mixture was heated under reflux for 4 h, treated with iced water, and the resulting precipitate was filtered off. The filtrate was basified with 28% ammonia and then extracted with chloroform to give 1-cyanoisoquinoline 1440; yield 0.17 g (95%). | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 49, p. 4056, 1984 DOI: 10.1021/jo00195a036
Tetrahedron Letters, 19, p. 589, 1978 | [General Description]
Effect of magnetic field on the photosubstitution reaction of 1-isoquinolinecarbonitrile in ethanol has been reported. Conjugated polynitrile, plasma-polymerized 1-isoquinolinecarbonitrile (PPIQCN) has been prepared by plasma polymerization. |
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