2-CHLORO-6-NITROPHENOL

The 2-Chloro-6-nitrophenol, with CAS registry number 603-86-1, belongs to the following product categories: (1)Aromatic Phenols; (2)Phenol&Thiophenol & Mercaptan. It has the systematic name of 2-chloro-6-nitrophenol. This chemical is a kind of yellow crystalline powder. And it should be stored in cool, dry place in tightly closed containers. What's more, its EINECS is 210-061-7.

Physical properties of 2-Chloro-6-nitrophenol: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 16.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 210.94; (8)ACD/KOC (pH 7.4): 5.19; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 39.57 cm³; (15)Molar Volume: 111.6 cm³; (16)Polarizability: 15.68×10^-24cm³; (17)Surface Tension: 62.2 dyne/cm; (18)Enthalpy of Vaporization: 47.22 kJ/mol; (19)Vapour Pressure: 0.0908 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Chloro-6-nitrophenol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Clc1cccc([N+]([O-])=O)c1O
(2)InChI: InChI=1/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
(3)InChIKey: ICCYFVWQNFMENX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
(5)Std. InChIKey: ICCYFVWQNFMENX-UHFFFAOYSA-N