CAS No.139-65-1,4,4'-THIODIANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	139-65-1
Name:	4,4'-THIODIANILINE
Article Data:	76

Formula:	C₁₂H₁₂N₂S
Molecular Weight:	216.307
Synonyms:	Aniline,4,4'-thiodi- (6CI,8CI);4,4'-Diaminodiphenyl sulfide;4,4'-Diaminophenylsulfide;4,4'-Thiobis[aniline];4,4'-Thiodianiline;4-(Aminophenylthio)phenylamine;BAPS;Bis(4-aminophenyl) sulfide;Di(p-aminophenyl) sulfide;NSC 6191;Thioaniline;Thiodi-p-phenylenediamine;p,p-Thiodianiline;p,p'-Diaminodiphenyl sulfide;
EINECS:	205-370-9
Density:	1.26 g/cm³
Melting Point:	105-107 °C(lit.)
Boiling Point:	464.8 °C at 760 mmHg
Flash Point:	234.9 °C
Appearance:	brown to brown-violet powder or needles
Hazard Symbols:	T, N
Risk Codes:	45-22-51/53
Safety:	53-45-61
Transport Information:	UN 3077 9/PG 3
PSA:	77.34000
LogP:	4.16460

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Consensus Reports

IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 27 ,1982,p. 147.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 27 ,1982,p. 147.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 16 ,1978,p. 343.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (feed); Clear Evidence: mouse, rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-47 ,1978. . Reported in EPA TSCA Inventory. Community Right-To-Know List.

Standards and Recommendations

DFG MAK: Animal Carcinogen, Suspected Human Carcinogen

Specification

The 4,4'-Sulfanediyldianiline is an organic compound with the formula C₁₂H₁₂N₂S. The IUPAC name of this chemical is 4-(4-aminophenyl)sulfanylaniline. With the CAS registry number 139-65-1, it is also named as 3-[(4-aminophenyl)thio]aniline. The product's categories are Amines; Diphenyl Sulfides (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. Besides, it should be stored in a cool and dark place. It is used as a solvent and used for preparation of dyes and rubber.

Physical properties about 4,4'-Sulfanediyldianiline are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 23.83; (5)ACD/BCF (pH 7.4): 26.49; (6)ACD/KOC (pH 5.5): 326.7; (7)ACD/KOC (pH 7.4): 363.16; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 31.78 Å²; (12)Index of Refraction: 1.707; (13)Molar Refractivity: 66.7 cm³; (14)Molar Volume: 171.1 cm³; (15)Polarizability: 26.44×10^-24cm³; (16)Surface Tension: 64.8 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 234.9 °C; (19)Enthalpy of Vaporization: 72.63 kJ/mol; (20)Boiling Point: 464.8 °C at 760 mmHg; (21)Vapour Pressure: 8.1E-09 mmHg at 25°C.

Uses of 4,4'-Sulfanediyldianiline: it can be used to produce 6,6'-sulfanediyl-bis-benzothiazol-2-ylamine. It will need reagent Br₂.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and may cause cancer. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Besides, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccc(N)cc1)c2ccc(cc2)N
(2)InChI: InChI=1/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
(3)InChIKey: ICNFHJVPAJKPHW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
(5)Std. InChIKey: ICNFHJVPAJKPHW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01564,
mouse	LD50	oral	620mg/kg (620mg/kg)	"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 43, 1982.
rat	LD50	oral	900mg/kg (900mg/kg)	"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 43, 1982.