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

Name
4-fluoro-3-nitrobenzenesulphonic acid
EINECS 223-432-3
CAS No. 3888-84-4
Article Data5
CAS DataBase
Density 1.724 g/cm³
Solubility
Melting Point
Formula C₆H₄FNO₅S
Boiling Point
Molecular Weight 221.166
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro-3-nitrobenzenesulfonicacid;
PSA 108.57000
LogP 2.58460

Benzenesulfonic acid,4-fluoro-3-nitro- 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

Product Name

4-fluoro-3-nitrobenzenesulphonic acid

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

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