Product Name

  • Name

    Benzo[c]cinnoline

  • EINECS 205-936-5
  • CAS No. 230-17-1
  • Article Data89
  • CAS DataBase
  • Density 1.25 g/cm3
  • Solubility easily soluble in methanol and chloroform, soluble in ethanol, ether and benzene, slightly soluble in water and petroleum ether
  • Melting Point 156-159 °C
  • Formula C12H8N2
  • Boiling Point 361.2 °C at 760 mmHg
  • Molecular Weight 180.209
  • Flash Point 170.2 °C
  • Transport Information
  • Appearance yellow-green crystalline powder
  • Safety 24/25-36-26
  • Risk Codes 36/37/38-20/21/22
  • Molecular Structure Molecular Structure of 230-17-1 (Benzo[c]cinnoline)
  • Hazard Symbols HarmfulXn; IrritantXi
  • Synonyms 2,2'-Azobiphenyl;3,4-Benzocinnoline;5,6-Diazaphenanthrene;5,6-Phenanthroline;9,10-Diazaphenanthrene;Diphenylenazone;NSC 86935;Phenazone(three-ring system);
  • PSA 25.78000
  • LogP 2.78300

Benzo[c]cinnoline Specification

This product is an organic compound with the formula C12H8N2. The IUPAC name of this chemical is benzo[c]cinnoline. With the CAS registry number 230-17-1, it is also named as 2,2'-Azobiphenyl. It is yellow-green crystalline powder which is easily soluble in methanol and chloroform, soluble in ethanol, ether and benzene, slightly soluble in water and petroleum ether. The deoxidation of 2,2 '- dinitro biphenyl by means of lithium aluminium hydride can get the Benzo[c]cinnoline. In addition, it is used as intermediate in organic synthesis.

The other characteristics of Benzo[c]cinnoline can be summarized as: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.48; (6)ACD/BCF (pH 7.4): 67.55; (7)ACD/KOC (pH 5.5): 709.26; (8)ACD/KOC (pH 7.4): 709.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 58.12 cm3; (15)Molar Volume: 144.1 cm3; (16)Surface Tension: 61.2 dyne/cm; (17)Enthalpy of Vaporization: 58.31 kJ/mol; (18)Vapour Pressure: 4.38E-05 mmHg at 25°C; (19)Exact Mass: 180.068748; (20)MonoIsotopic Mass: 180.068748; (21)Topological Polar Surface Area: 25.8; (22)Heavy Atom Count: 14; (23)Complexity: 183.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure. 
1. SMILES:n1nc3c(c2ccccc12)cccc3
2. InChI:InChI=1/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
3. InChIKey:SWJXWSAKHXBQSY-UHFFFAOYAY

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