Name: 1-ISOQUINOLINYL PHENYL KETONE
SKU: 16576-23-1

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Basic Information

Molecular Structure:
CAS No.:	16576-23-1
Name:	1-ISOQUINOLINYL PHENYL KETONE
Article Data:	38

Formula:	C₁₆H₁₁NO
Molecular Weight:	233.269
Synonyms:	Ketone,1-isoquinolyl phenyl (8CI);1-Benzoylisoquinoline;NSC 131470;Isoquinolin-1-yl(phenyl)methanone;
Density:	1.196 g/cm³
Melting Point:	76-79 °C(lit.)
Boiling Point:	418.5 °C at 760 mmHg
Flash Point:	212.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	29.96000
LogP:	3.46580

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Specification

The CAS registry number of Methanone,1-isoquinolinylphenyl- is 16576-23-1. The IUPAC name is isoquinolin-1-yl(phenyl)methanone. In addition, the molecular formula is C₁₆H₁₁NO and the molecular weight is 233.26. It belongs to the classes of Building Blocks; Heterocyclic Building Blocks; Isoquinolines and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.11; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 29.96 Å²; (5)Index of Refraction: 1.66; (6)Molar Refractivity: 71.97 cm³; (7)Molar Volume: 194.8 cm³; (8)Polarizability: 28.53 ×10^-24cm³; (9)Surface Tension: 52.6 dyne/cm; (10)Density: 1.196 g/cm³; (11)Flash Point: 212.9 °C; (12)Enthalpy of Vaporization: 67.21 kJ/mol; (13)Boiling Point: 418.5 °C at 760 mmHg; (14)Vapour Pressure: 3.26E-07 mmHg at 25°C.

Preparation of Methanone,1-isoquinolinylphenyl-: it can be prepared by benzoyl chloride and 1-trimethylstannyl-isoquinoline. This reaction will need solvent benzene. The reaction time is 3 hours with ambient temperature. The yield is about 65%.

Uses of Methanone,1-isoquinolinylphenyl-: it can be used to get isoquinolin-1-yl-phenyl-methanol. This reaction will need reagents In and aq. NH₄Cl and solvent ethanol. The yield is about 72% by heating.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2nccc1ccccc12)c3ccccc3
(2)InChI: InChI=1/C16H11NO/c18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-11H
(3)InChIKey: MDWCIKACMBMJFA-UHFFFAOYAN