CAS No.27655-41-0,5-CYANOISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27655-41-0
Name:	5-CYANOISOQUINOLINE
Article Data:	14

Formula:	C₁₀H₆N₂
Molecular Weight:	154.171
Synonyms:	5-Cyanoisoquinoline;Isoquinoline-5-carbonitrile;Cyanoisoquinoline;MFCD03109890;
Density:	1.21 g/cm³
Melting Point:	138-140℃
Boiling Point:	341.5 °C at 760 mmHg
Flash Point:	119.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	36.68000
LogP:	2.10648

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Specification

The 5-Isoquinolinecarbonitrile, with the CAS registry number 27655-41-0, is also known as 5-Cyanoisoquinoline. This chemical's molecular formula is C₁₀H₆N₂ and molecular weight is 154.17. What's more, its systematic name is isoquinoline-5-carbonitrile.

Physical properties of 5-Isoquinolinecarbonitrile are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.61; (6)ACD/BCF (pH 7.4): 6.74; (7)ACD/KOC (pH 5.5): 133.68; (8)ACD/KOC (pH 7.4): 136.44; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 46.67 cm³; (15)Molar Volume: 127.2 cm³; (16)Surface Tension: 59.4 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 119.8 °C; (19)Enthalpy of Vaporization: 58.51 kJ/mol; (20)Boiling Point: 341.5 °C at 760 mmHg; (21)Vapour Pressure: 8.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc2c1ccnc2
(2)InChI: InChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H
(3)InChIKey: XVJDHUCBVHTPGE-UHFFFAOYSA-N