2-Nitroresorcinol

The 1,3-Benzenediol,2-nitro- is an organic compound with the formula C₆H₅NO₄. The IUPAC name of this chemical is 2-nitrobenzene-1,3-diol. With the CAS registry number 601-89-8, it is also named as 1,3-Dihydroxy-2-nitrobenzene. The product's categories are Aromatic Phenols; (Intermediates of rifalazil); Alcohols; Monomers; Polymer Science. Besides, it is a orange crystalline powder, which should be stored in a closed cool and dry place. It is used for chemical pharmaceutical intermediates.

Physical properties about 1,3-Benzenediol,2-nitro- are: (1)ACD/LogP: 1.49 ; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): -1.43; (4)ACD/BCF (pH 5.5): 1.5; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.05; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 64.28 Å²; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 36.56 cm³; (14)Molar Volume: 98.1 cm³; (15)Polarizability: 14.49×10^-24cm³; (16)Surface Tension: 79.2 dyne/cm; (17)Density: 1.58 g/cm³; (18)Flash Point: 111.4 °C; (19)Enthalpy of Vaporization: 50.2 kJ/mol; (20)Boiling Point: 245.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0184 mmHg at 25°C.

Uses of 1,3-Benzenediol,2-nitro-: it can be used to produce 2-amino-benzene-1,3-diol. It will need reagent tin (II)-chloride and aqueous hydrochloric acid.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(O)cccc1O
(2)InChI: InChI=1/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
(3)InChIKey: ZLCPKMIJYMHZMJ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
(5)Std. InChIKey: ZLCPKMIJYMHZMJ-UHFFFAOYSA-N