[4-(4-thiocyanatoanilino)phenyl] thiocyanate

Names

[ CAS No. ]:
5339-39-9

[ Name ]:
[4-(4-thiocyanatoanilino)phenyl] thiocyanate

[Synonym ]:
iminodibenzene-4,1-diyl bis(thiocyanate)
p,p-Dithiocyanatodiphenylamine
4,4'-Di(thiocyano)diphenylamine
Diphenylamine,4,4'-dithiocyano
Thiocyanic acid,diester with p,p'-iminodiphenol
TL 377
4.4'-Dirhodan-diphenylamin
(4,4'-dithiocyanato)diphenylamine
Thiocyanic acid,iminodi-4,1-phenylene ester
Bis-(4-thiocyanato-phenyl)-amin
bis-(4-thiocyanato-phenyl)-amine

Chemical & Physical Properties

[ Density]:
1.37g/cm3

[ Boiling Point ]:
481.5ºC at 760 mmHg

[ Molecular Formula ]:
C14H9N3S2

[ Molecular Weight ]:
283.37100

[ Flash Point ]:
245ºC

[ Exact Mass ]:
283.02400

[ PSA ]:
110.21000

[ LogP ]:
4.64956

[ Index of Refraction ]:
1.709

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK9205000
CHEMICAL NAME :
Thiocyanic acid, diester with p,p'-iminodiphenol
CAS REGISTRY NUMBER :
5339-39-9
BEILSTEIN REFERENCE NO. :
3361936
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H9-N3-S2
MOLECULAR WEIGHT :
283.38
WISWESSER LINE NOTATION :
NCSR DMR DSCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/m3/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: NDCrc-132,SEP1942
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,289,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03897

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diphenylamine
  • Lead (II) thiocyanate

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • [4-[(4-nitrobenzoyl)amino]phenyl] thiocyanate
  • [3,5-dimethyl-4-[(4-nitrobenzoyl)amino]phenyl] thiocyanate
  • 1,3-bis(4-thiocyanatophenyl)thiourea
  • 4-Methylpentanoic acid isoamyl ester
  • [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] thiocyanate
  • 4-Thiocyanato-2-(trifluoromethoxy)aniline
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 2-{2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanamido]cyclohexyl}acetic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide