CAS 1156-50-9

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 1156-50-9, 4-nitrophenyl sulfone, Bis(4-nitrophenyl)sulfone, Bis(4-nitrophenyl) sulphone, 4,4'-dinitrodiphenyl sulfone, 1-nitro-4-(4-nitrophenyl)sulfonylbenzene

Molecular Formula

C₁₂H₈N₂O₆S

Molecular Weight

308.27 g/mol

InChI Key

BVHNGWRPAFKGFP-UHFFFAOYSA-N

1 2D Structure

CAS 1156-50-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-nitro-4-(4-nitrophenyl)sulfonylbenzene

2.1.2 InChI

InChI=1S/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H

2.1.3 InChI Key

BVHNGWRPAFKGFP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1156-50-9

2. 4-nitrophenyl Sulfone

3. Bis(4-nitrophenyl)sulfone

4. Bis(4-nitrophenyl) Sulphone

5. 4,4'-dinitrodiphenyl Sulfone

6. 1-nitro-4-(4-nitrophenyl)sulfonylbenzene

7. 4,4'-dinitrodiphenylsulfone

8. Benzene, 1,1'-sulfonylbis[4-nitro-

9. Benzene, 1,1'-sulfonylbis(4-nitro-

10. 4,4'-sulfonylbis(nitrobenzene)

11. Nsc20609

12. Nsc-20609

13. Bis(p-nitrophenyl) Sulfone

14. 1,1'-sulfonylbis(4-nitrobenzene)

15. Einecs 214-589-9

16. Nsc 20609

17. Brn 2060993

18. Sulfone, Bis(p-nitrophenyl)

19. Benzene, 1,1'-sulfonylbis(4-nitro- (9ci)

20. Dextro Camphorquinone

21. Compound 1 Analog 13

22. 1-nitro-4-[(4-nitrobenzene)sulfonyl]benzene

23. 4-06-00-01698 (beilstein Handbook Reference)

24. 4-nitro-phenyl-sulfone

25. Chembl215397

26. Schembl3158508

27. Bdbm11302

28. Dtxsid60151143

29. Zinc1571129

30. Mfcd00010447

31. Akos001038366

32. 1-nitro-4-(4-nitrophenyl)sulfonyl-benzene

33. Db-041281

34. Cs-0441411

35. Ft-0633413

36. D89946

37. J-003313

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₈N₂O₆S
Molecular Weight	308.27 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	308.01030715 g/mol
Monoisotopic Mass	308.01030715 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	447
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1156-50-9

Intermediate Name

4,4'-sulfonylbis(nitrobenzene)

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ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.

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