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3888-84-4

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Basic Information
CAS No.: 3888-84-4
Name: 4-fluoro-3-nitrobenzenesulphonic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 3888-84-4 (4-fluoro-3-nitrobenzenesulphonic acid)
Formula: C6H4FNO5S
Molecular Weight: 221.166
Synonyms: 4-Fluoro-3-nitrobenzenesulfonicacid;
EINECS: 223-432-3
Density: 1.724 g/cm3
PSA: 108.57000
LogP: 2.58460
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    Benzenesulfonic acid,4-fluoro-3-nitro-

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  • Benzenesulfonic acid,4-fluoro-3-nitro-

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    Benzenesulfonic acid,4-fluoro-3-nitro-

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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  • Benzenesulfonic acid,4-fluoro-3-nitro-

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    Benzenesulfonic acid,4-fluoro-3-nitro-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • 4-FLUORO-3-NITROBENZENESULFONIC ACIDCAS

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    4-FLUORO-3-NITROBENZENESULFONIC ACIDCAS

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    4-FLUORO-3-NITROBENZENESULFONIC ACIDCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

 The CAS registry number of Benzenesulfonic acid,4-fluoro-3-nitro- is 3888-84-4. The EINECS registry number of this chemical is 223-432-3. In addition, its molecular formula is C6H4FNO5S and molecular weight is 221.1630632. Its systematic name and IUPAC name are the same which is called 4-fluoro-3-nitrobenzenesulfonic acid.

Physical properties about Benzenesulfonic acid,4-fluoro-3-nitro- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.8; (4)ACD/LogD (pH 7.4): -2.8; (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)Index of Refraction: 1.589; (13)Molar Refractivity: 43.24 cm3; (14)Molar Volume: 128.2 cm3; (15)Surface Tension: 65.3 dyne/cm; (16)Density: 1.724 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1F)S(=O)(=O)O
(2)InChI: InChI=1/C6H4FNO5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,(H,11,12,13)
(3)InChIKey: OOJWQLSHYOELSK-UHFFFAOYAJ