The 2-Chloro-5-nitrobenzenesulfonic acid with CAS registry number of 96-73-1 is also known as Benzenesulfonic acid, 2-chloro-5-nitro-. The IUPAC name and product name are the same. It belongs to product categories of Intermediates of Dyes and Pigments; Aromatics; Heterocycles. Its EINECS registry number is 202-528-9. In addition, the formula is C6H4ClNO5S and the molecular weight is 237.62. This chemical is a tan solid.
Physical properties about 2-Chloro-5-nitrobenzenesulfonic acid are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.4; (4)ACD/LogD (pH 7.4): -2.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 97.57Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 47.96 cm3; (15)Molar Volume: 136 cm3; (16)Polarizability: 19.01×10-24cm3; (17)Surface Tension: 70.7 dyne/cm; (18)Density: 1.747 g/cm3.
Preparation of 2-Chloro-5-nitrobenzenesulfonic acid: it is prepared by reaction of nitro chlorobenzene with oleum.
Uses of 2-Chloro-5-nitrobenzenesulfonic acid: it is used as dye intermediate. It's mainly used for the manufacture of blue salt B, blue salt RT, production of o-nitroaniline acid and so on.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl
2. InChI: InChI=1S/C6H4ClNO5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,(H,11,12,13)
3. InChIKey: GNTARUIZNIWBCN-UHFFFAOYSA-N
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