Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
The 1-((2-Chloro-4-nitrophenyl)azo)-2-naphthol, with the CAS registry number 2814-77-9 and EINECS registry number 220-562-2, has the IUPAC name and systematic name of 1-[(E)-(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol. It is a kind of salmon pink powder, and belongs to the following product categories: Dyes and Pigments; Organics. And the molecular formula of the chemical is C16H10ClN3O3. What's more, it is always used for the pigmentation of ink, watercolor or oil paints. It may cause dermatitis, hence, while dealing with it, you should be cautious.
The physical properties of 1-((2-Chloro-4-nitrophenyl)azo)-2-naphthol are as followings: (1)ACD/LogP: 5.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5772.9; (6)ACD/BCF (pH 7.4): 5772.89; (7)ACD/KOC (pH 5.5): 17139.49; (8)ACD/KOC (pH 7.4): 17139.47; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 90.77 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 85.85 cm3; (15)Molar Volume: 226 cm3; (16)Polarizability: 34.03×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 291.8 °C; (20)Enthalpy of Vaporization: 87.24 kJ/mol; (21)Boiling Point: 558.9 °C at 760 mmHg; (22)Vapour Pressure: 4.25E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cc(ccc3/N=N/c1c2ccccc2ccc1O)N(=O)=O
(2)InChI: InChI=1/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H/b19-18+
(3)InChIKey: XLTMWFMRJZDFFD-VHEBQXMUBX
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