4-AMINO-4'-NITRODIPHENYL SULFIDE Chemical Properties

Melting point:

143-145 °C(lit.)

Boiling point:

479.1±30.0 °C(Predicted)

Density 

1.3031 (rough estimate)

refractive index 

1.5950 (estimate)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

powder to crystal

pka

2.99±0.10(Predicted)

color 

Orange prisms with blue reflex from C6H6, crystfrom EtOH

InChI

1S/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2

InChIKey

ZBPKGHOGUVVDLF-UHFFFAOYSA-N

SMILES

Nc1ccc(Sc2ccc(cc2)[N+]([O-])=O)cc1

CAS DataBase Reference

101-59-7(CAS DataBase Reference)

EPA Substance Registry System

4-[(4-Nitrophenyl)thio]aniline (101-59-7)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

RTECS 

WP9640000

HS Code 

29309090

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Toxicity

mmo-sat 25 mg/plate MUREAV 67,123,79

MSDS

• Language:English Provider:SigmaAldrich

4-AMINO-4'-NITRODIPHENYL SULFIDE Usage And Synthesis

Uses

4-Amino-4'-nitrodiphenyl sulfide is an ether derivative that can be used as an intermediate in organic synthesis.

Safety Profile

Poison by intravenous route.Mutation data reported. When heated to decomposition it emits very toxic fumesof NOx and SOx.

Synthesis

A solution of 4-amino-benzenethiol (1.00 Kg, 7.99 mol) was dissolved in toluene (2 liters) under nitrogen and slowly added with mechanical stirring to a reactor containing 4-1-chloro-4-nitrobenzene (1.32 Kg; 8.38 mol), toluene (2 liters), 30% sodium hydroxide (1.17 Kg; 8.78 mol), and tetrabutylammonium hydrogensulfate (68 g; 0.2 mol). mixture in a reactor. The reaction temperature was maintained at about 85??C during addition; the mixture was then maintained at the same temperature for about 2 hours. Toluene was added to the mixture and then the phases were separated at about 85??C. The organic phase was then flushed with dilute sulfuric acid. The organic phase was then flushed with dilute sulfuric acid and the organic phase was concentrated under vacuum to about 4 liters and cooled. It was then separated by filtration at 60??C under vacuum, rinsed and the crystalline product was dried. 1.87 Kg of pure 4-amino-4'-nitrodiphenyl sulfide was obtained (95% yield; 99% purity).

4-AMINO-4'-NITRODIPHENYL SULFIDE(101-59-7)Related Product Information

• 3-Amino-5-nitrodiphenyl sulfide
• 2-AMINO-2'-NITRO DIPHENYL SULFIDE
• 4-AMINO-4'-NITRODIPHENYL SULFIDE
• BIS(4-NITROPHENYL) SULFIDE
• BIS(4-NITROPHENYL) SULFONE
• Diphenyl sulfide
• N-[2,6-BIS(1-METHYLETHYL)PHENYL]-N'-[4-[(4-NITROPHENYL)THIO]PHENYL]UREA
• 4-ISOTHIOCYANATO-4'-NITRODIPHENYL SULFIDE
• 4-ACETAMINO-4'-NITRODIPHENYL SULFONE
• BIS-(4-NITRO-PHENYL) SULFOXIDE
• 4-NITRO-4'-AMINODIPHENYL SULFONE
• 4-ACETAMIDO-2'-AMINO-2-NITRODIPHENYL SULFIDE
• 1H-PYRROLE-3-METHANOL, 2,5-DIMETHYL-1-[4-[(4-NITROPHENYL)THIO]PHENYL]-
• (E)-5-((2,5-DIMETHYL-1-(4-(4-NITROPHENYLTHIO)PHENYL)-1H-PYRROL-3-YL)METHYLENE)-2-THIOXO-3-P-TOLYL-DIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
• N-[4-(4-NITRO-2-SULFAMOYL-BENZENESULFONYL)-PHENYL]-ACETAMIDE
• (Z)-5-((2,5-DIMETHYL-1-(4-(4-NITROPHENYLTHIO)PHENYL)-1H-PYRROL-3-YL)METHYLENE)-1-(4-FLUOROPHENYL)PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
• N-(4-((4-Nitrophenyl)thio)phenyl)-1-piperidineacetamide
• (Z)-3-((2,5-DIMETHYL-1-(4-(4-NITROPHENYLTHIO)PHENYL)-1H-PYRROL-3-YL)METHYLENE)-1-METHYL-5-(MORPHOLINOSULFONYL)INDOLIN-2-ONE