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101-59-7

101-59-7 Structure

101-59-7 Structure
IdentificationMore
[Name]

4-AMINO-4'-NITRODIPHENYL SULFIDE
[CAS]

101-59-7
[Synonyms]

4-(4-NITROPHENYLTHIO)ANILINE
4-AMINO-4'-NITRODIPHENYL SULFIDE
4-[(P-NITROPHENYL)THIO]ANILINE
ASISCHEM D50976
4-((4-nitrophenyl)thio)-benzenamin
4-amino-4’-nitrodiphenylthioether
p-((p-nitrophenyl)thio)-anilin
sulfide,anilino(p-nitrophenyl)
AI3-16817
4-Aminophenyl 4-Nitrophenyl Sulfide
[EINECS(EC#)]

202-957-1
[Molecular Formula]

C12H10N2O2S
[MDL Number]

MFCD00007881
[Molecular Weight]

246.29
[MOL File]

101-59-7.mol
Chemical PropertiesBack Directory
[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]

101-59-7(EPA Substance)
Questions And AnswerBack Directory
[Uses]

4-Amino-4'-nitrodiphenyl sulfide is an ether derivative that can be used as an intermediate in organic synthesis.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

WP9640000
[REACH Registrations]

Active
[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
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-4'-NITRODIPHENYL SULFIDE(101-59-7)MS
4-AMINO-4'-NITRODIPHENYL SULFIDE(101-59-7)1HNMR
4-AMINO-4'-NITRODIPHENYL SULFIDE(101-59-7)13CNMR
4-AMINO-4'-NITRODIPHENYL SULFIDE(101-59-7)IR1
4-AMINO-4'-NITRODIPHENYL SULFIDE(101-59-7)IR2
4-AMINO-4'-NITRODIPHENYL SULFIDE(101-59-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

101-59-7(sigmaaldrich)
[TCI AMERICA]

4-Amino-4'-nitrodiphenyl Sulfide,>98.0%(GC)(T)(101-59-7)
Hazard InformationBack Directory
[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 hydro
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