ChemicalBook--->CAS DataBase List--->139-65-1

139-65-1

139-65-1 Structure

139-65-1 Structure
IdentificationMore
[Name]

4,4'-THIODIANILINE
[CAS]

139-65-1
[Synonyms]

4,4'-DIAMINODIPHENYL SULFIDE
4,4'-DI(AMINOPHENYL) SULFIDE
4,4'-THIODIANILINE
4-AMINOPHENYL SULFIDE
4-AMINOPHENYLTHIOETHER
ASD
BIS(4-AMINOPHENYL) SULFIDE
BIS(P-AMINOPHENYL)SULFIDE
DI(P-AMINOPHENYL)SULFIDE
4,4’-diaminodiphenylsulphide
4,4’-thioaniline
4,4’-thiobis(aniline)
4,4’-thiobis-benzenamin
4,4’-thiobisbenzenamine
4,4’-thiodi-anilin
4,4-Diaminodiphenyl sulphide
4,4'-Diaminodiphenylsulphide
4,4-diaminodiphenylsulphide
4,4'-Thioaniline
4,4'-Thiobis(aniline)
[EINECS(EC#)]

205-370-9
[Molecular Formula]

C12H12N2S
[MDL Number]

MFCD00025342
[Molecular Weight]

216.3
[MOL File]

139-65-1.mol
Chemical PropertiesBack Directory
[Appearance]

BROWN-PURPLE POWDER
[Melting point ]

105-107 °C(lit.)
[Boiling point ]

361 °C
[density ]

1.1391 (rough estimate)
[refractive index ]

1.5700 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

4.55±0.10(Predicted)
[color ]

Pale Brown
[BRN ]

1875513
[InChIKey]

ICNFHJVPAJKPHW-UHFFFAOYSA-N
[CAS DataBase Reference]

139-65-1(CAS DataBase Reference)
[IARC]

2B (Vol. 27, Sup 7) 1987
[NIST Chemistry Reference]

Benzenamine, 4,4'-thiobis-(139-65-1)
[EPA Substance Registry System]

139-65-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

R45:May cause cancer.
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

BY9625000
[F ]

8-10-21
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

29309090
[Safety Profile]

Confirmed carcinogen with experimental carcinogenic and tumorigenic data. Poison by intravenous route. Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFIDES.
[Hazardous Substances Data]

139-65-1(Hazardous Substances Data)
[Toxicity]

mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01564,
Hazard InformationBack Directory
[General Description]

Needles or brown powder.
[Reactivity Profile]

4,4'-THIODIANILINE(139-65-1) is incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. May generate heat with these materials and hydrogen gas or hydrogen sulfide gas. May liberate hydrogen sulfide if heated to decomposition or mixed with an acid. Also incompatible with peroxides, phenols (acidic), epoxides, anhydrides, and acid halides.
[Air & Water Reactions]

Insoluble in water.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes.
[Potential Exposure]

4,40-Thiodianiline is used as a dye intermediate; in organic sythesis; as a lab reagent. Antiplatyhelmintic agents; Carcinogens
[Fire Hazard]

Flash point data for this compound are not available, however 4,4'-THIODIANILINE is probably combustible.
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed.
[Shipping]

UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9Miscellaneous hazardous material, Technical Name Required. UN3143 dye intermediates, solid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required.
[Incompatibilities]

This material may be combustible. 4,40-Thiodianiline is incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. May generate heat with these materials and hydrogen gas or hydrogen sulfide gas. May liberate hydrogen sulfide if heated to decomposition or mixed with an acid. Also incompatible with peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Light and moisture sensitive
[Chemical Properties]

4,40-Thiodianiline is a brown-purple powder or needles.
[Waste Disposal]

It is inappropriate and possibly dangerous to the environment to dispose of expired or waste drugs and pharmaceuticals by flushing them down the toilet or discarding them to the trash. Household quantities of expired or waste pharmaceuticals may be mixed with wet cat litter or coffee grounds, double-bagged in plastic, discard in trash. Larger quantities shall carefully take into consideration applicable DEA, EPA, and FDA regulations. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.
[Uses]

4,4′-Thiodianiline was used almost exclusively as a chemical intermediate in the production of three dyes: C.I. mordant yellow 16, milling red G, and milling red FR. However, only mordant yellow 16 had any commercial significance in the United States (IARC 1982, HSDB 2009); it was used to dye wool and for printing on wool, silk, and cotton (SDC 1971). Mordant yellow 16 has been used as an indicator in the U.S. government’s nerve gas detector program (SOCMA 2002). However, no uses of either 4,4′-thiodianiline or mordant yellow 16 since the early 1990s have been reported.
[Definition]

ChEBI:4,4'-Thiodianiline is a substituted aniline.
[Carcinogenicity]

4,4′-Thiodianiline is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
[Purification Methods]

The free base is used for the detection of NO3 ions. The diacetate crystallises from aqueous AcOH with m 182o and the sulfoxide, m 184o, forms prisms from EtOH or H2O. [Fuson & Melamed J Org Chem 13 690 I1948, Beilstein 1 3 III 1246, 13, IV 1246.]
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-THIODIANILINE(139-65-1)MS
4,4'-THIODIANILINE(139-65-1)1HNMR
4,4'-THIODIANILINE(139-65-1)13CNMR
4,4'-THIODIANILINE(139-65-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4'-Thiodianiline, 95%(139-65-1)
[Sigma Aldrich]

139-65-1(sigmaaldrich)
[TCI AMERICA]

Bis(4-aminophenyl) Sulfide,>98.0%(LC)(T)(139-65-1)
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