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Substance Name: 4,4'-Thiodianiline
RN: 139-65-1
UNII: 6GGU990BQF
InChIKey: ICNFHJVPAJKPHW-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-N2-S

Molecular Weight

  • 216.307
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2B
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Names and Synonyms

Results Name

  • 4,4'-Thiodianiline

Name of Substance

  • 4,4'-Thiobisbenzenamine
  • 4,4'-Thiodianiline

Synonyms

  • 4,4'-Diaminodiphenyl sulfide
  • 4,4'-Diaminodiphenylsulphide
  • 4,4'-Diaminophenyl sulfide
  • 4,4'-Thioaniline
  • 4,4'-Thiobis(aniline)
  • 4,4'-Thiobisbenzenamine
  • 4,4'-Thiodianiline
  • 4,4-Diaminodiphenyl sulphide
  • 4-13-00-01306 (Beilstein Handbook Reference)
  • AI3-52492
  • Aniline, 4,4'-thiodi-
  • Benzenamine, 4,4'-thiobis-
  • Bis(4-aminophenyl) sulfide
  • Bis(4-aminophenyl)sulfide
  • Bis(4-aminophenyl)sulphide
  • Bis(p-aminophenyl) sulfide
  • Bis(p-aminophenyl)sulfide
  • Bis(p-aminophenyl)sulphide
  • Bis(para-aminophenyl)sulphide
  • BRN 1875513
  • CCRIS 585
  • Di(p-aminophenyl) sulfide
  • Di(p-aminophenyl)sulphide
  • Di(para-aminophenyl) sulphide
  • EINECS 205-370-9
  • HSDB 5074
  • NCI-C01707
  • NSC 6191
  • p,p'-Diaminodiphenyl sulfide
  • p,p'-Diaminodiphenyl sulphide
  • p,p-Thiodianiline
  • para,para'-Diaminodiphenyl sulphide
  • para,para'-Thiodianiline
  • Sulfide, bis(p-aminophenyl)
  • Sulfide, diphenyl, 4,4'-diamino-
  • Thiodi-p-phenylenediamine
  • Thiodi-para-phenylenediamine
  • UNII-6GGU990BQF

Systematic Names

  • 4,4'-Diaminodiphenylsulfide
  • 4,4'-Thiodianiline
  • Aniline, 4,4'-thiodi-
  • Benzenamine, 4,4'-thiobis-

Superlist Name

  • 4,4'-Thiodianiline

Registry Numbers

CAS Registry Number

  • 139-65-1

FDA UNII

  • 6GGU990BQF

System Generated Number

  • 0000139651

Structure Descriptors

InChI

1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2

InChIKey

ICNFHJVPAJKPHW-UHFFFAOYSA-N

Smiles

c1(Sc2ccc(N)cc2)ccc(N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect 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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108.5 deg C   EXP
Boiling Point 361 deg C   EXP
log P (octanol-water) 2.18 (none)   EXP
Water Solubility 310 mg/L 25 EST
Vapor Pressure 1.11E-05 mm Hg 25 EST
Henry's Law Constant 3.92E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.