ChemicalBook--->CAS DataBase List--->1198-30-7

1198-30-7

1198-30-7 Structure

1198-30-7 Structure
IdentificationMore
[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 PropertiesBack 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)
[Water Solubility ]

Insoluble in water.
[BRN ]

119104
[CAS DataBase Reference]

1198-30-7(CAS DataBase Reference)
Safety DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

POTASSIUM CYANIDE-->Tosyl chloride-->Isoquinoline-->DBU
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Isoquinolinecarbonitrile(1198-30-7).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Isoquinolinecarbonitrile(1198-30-7)MS
1-Isoquinolinecarbonitrile(1198-30-7)1HNMR
1-Isoquinolinecarbonitrile(1198-30-7)IR1
1-Isoquinolinecarbonitrile(1198-30-7)IR2
1-Isoquinolinecarbonitrile(1198-30-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isoquinoline-1-carbonitrile, 99%(1198-30-7)
[Sigma Aldrich]

1198-30-7(sigmaaldrich)
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