Phenol,2-nitro-

The 2-Nitrophenol with CAS registry number of 88-75-5 is also known as Phenol, 2-nitro-. The IUPAC name and product name are the same. It belongs to product categories of Intermediates of Dyes and Pigments; Organics; Phenoles and thiophenoles; Analytical Chemistry; Indicator (pH); pH Indicators; Indicators; PH Indicators - Solids; Titration; Organic Building Blocks; Oxygen Compounds; Phenols; Alpha Sort; N; NA - NI; N-OAlphabetic; Volatiles/ Semivolatiles; N-PAlphabetic; Pesticides&Metabolites; Dye Intermediates. Its EINECS registry number is 201-857-5. In addition, the formula is C₆H₅NO₃ and the molecular weight is 139.11.

Physical properties about 2-Nitrophenol are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 11.45; (6)ACD/BCF (pH 7.4): 4.15; (7)ACD/KOC (pH 5.5): 198.06; (8)ACD/KOC (pH 7.4): 71.84; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 34.67 cm³; (14)Molar Volume: 99.7 cm³; (15)Surface Tension: 60.2 dyne/cm; (16)Density: 1.395 g/cm³; (17)Flash Point: 97.1 °C; (18)Enthalpy of Vaporization: 47.06 kJ/mol; (19)Boiling Point: 215.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0987 mmHg at 25 °C.

Preparation of 2-Nitrophenol: it is prepared by reaction of nitrochlorobenzene with sodium hydroxide and sulfuric acid. The reaction has two steps of hydrolysis and acidification.

Uses of 2-Nitrophenol: it is used to produce 3-(2-nitro-phenoxy)-propionic acid by reaction with oxetan-2-one. The reaction occurs with reagent NaOH and other condition of heating for 40 minutes. The yield is about 37%. This chemical is used as organic synthesis intermediate of medicine, dyes, rubber chemicals, photographic materials and also can be used as color pH indicator.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It's harmful and has danger of very serious irreversible effects by inhalation, in contact with skin and if swallowed. Besides, it is highly flammable and harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition and avoid release to the environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately. After using it, keep container tightly closed. After contact with skin, wash immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])O
2. InChI: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
3. InChIKey: IQUPABOKLQSFBK-UHFFFAOYSA-N

The toxicity data is as follows: