1,3-Propylene-bis-phenyl isothiuronium dihydrobromide

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Names

[ CAS No. ]:
852-55-1

[ Name ]:
1,3-Propylene-bis-phenyl isothiuronium dihydrobromide

[Synonym ]:
N,N''-diphenyl-S,S'-propanediyl-bis-isothiourea,dihydrobromide
N,N''-Diphenyl-S,S'-propandiyl-bis-isothioharnstoff,Dihydrobromid
Carbamimidothioic acid,phenyl-,1,3-propanediyl ester,dihydrobromide
1,3-Propylene-bis-phenyl isothiuronium dihydrobromide

Chemical & Physical Properties

[ Density]:
1.22g/cm3

[ Boiling Point ]:
551.1ºC at 760 mmHg

[ Molecular Formula ]:
C17H21BrN4S2

[ Molecular Weight ]:
425.40900

[ Flash Point ]:
287.1ºC

[ Exact Mass ]:
424.03900

[ PSA ]:
122.36000

[ LogP ]:
6.24020

[ Index of Refraction ]:
1.64

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UN1250000
CHEMICAL NAME :
Pseudourea, 2,2'-propylenebis(1-phenyl-2-thio-, dihydrobromide
CAS REGISTRY NUMBER :
852-55-1
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H20-N4-S2.2Br-H
MOLECULAR WEIGHT :
506.37
WISWESSER LINE NOTATION :
RNUYZS3SYZUNR &EH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 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#01165

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-Dibromopropane
  • Phenylthiocarbamide

DownStream

Related Compounds

  • 6-(2-Methyl-1H-imidazol-1-YL)nicotinic acid
  • N-cyclopentyl-2-(2-methyl-5-((2-methylbenzyl)oxy)-4-oxopyridin-1(4H)-yl)acetamide
  • N-(4-fluorobenzyl)-2-(2-methyl-5-((2-methylbenzyl)oxy)-4-oxopyridin-1(4H)-yl)acetamide
  • I+/--(2-Ethoxyphenyl)-1-piperidineethanamine
  • Piperidine-1,4-dicarboxamide
  • 3-(aminomethyl)-N-cyclohexyl-N-ethylpyridin-2-amine
  • N-(4-Aminophenyl)-2-(2,6-dimethylphenoxy)-propanamide
  • 2-[[4-(Aminocarbonyl)-1-piperidinyl]carbonyl]cyclohexanecarboxylic acid
  • 2-(3-(1-Aminoethyl)phenoxy)-N,N-dimethylethan-1-amine
  • 2-(2,5-Dioxopyrrolidin-1-yl)-5-nitrobenzoic acid
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