3-Nitrophenyl sulphone supplier

Name
3-Nitrophenyl sulphone
EINECS 214-965-2
CAS No. 1228-53-1
Article Data13
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point 252-255 °C
Formula C₁₂H₈N₂O₆S
Boiling Point 541.1 °C at 760 mmHg
Molecular Weight 308.271
Flash Point 281 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sulfone,bis(m-nitrophenyl) (7CI,8CI);1,1'-Sulfonylbis[3-nitrobenzene];3,3'-Dinitrodiphenyl sulfone;Bis(3-nitrophenyl) sulfone;Bis(m-nitrophenyl)sulfone;NSC 20608;
PSA 134.16000
LogP 4.46300

3-Nitrophenyl sulphone Specification

The Benzene,1,1'-sulfonylbis[3-nitro-, with CAS registry number 1228-53-1, has the systematic name of 1,1'-sulfonylbis(3-nitrobenzene). The main use of this chemical is for preparation of thermal-pressure sensitive dye. And the chemical formula of this chemical is C₁₂H₈N₂O₆S. What's more, its EINECS is 214-965-2.

Physical properties of Benzene,1,1'-sulfonylbis[3-nitro-: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.01; (6)ACD/BCF (pH 7.4): 86.01; (7)ACD/KOC (pH 5.5): 844.01; (8)ACD/KOC (pH 7.4): 844.01; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 134.16 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 72.34 cm³; (15)Molar Volume: 201.4 cm³; (16)Polarizability: 28.68×10^-24cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Enthalpy of Vaporization: 76.99 kJ/mol; (19)Vapour Pressure: 1.28E-10 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce bis-(3-amino-phenyl)-sulfone. This reaction will need reagents tin, hydrochloric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc([N+]([O-])=O)ccc1)c2cc([N+]([O-])=O)ccc2
(2)InChI: InChI=1/C12H8N2O6S/c15-13(16)9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H
(3)InChIKey: AKAXCFAQCKRJOT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H8N2O6S/c15-13(16)9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H
(5)Std. InChIKey: AKAXCFAQCKRJOT-UHFFFAOYSA-N

Product Name

3-Nitrophenyl sulphone

3-Nitrophenyl sulphone Specification

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