4-(Methylsulfonyl)benzenecarboximidamide hydrochloride

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Names

[ CAS No. ]:
5434-06-0

[ Name ]:
4-(Methylsulfonyl)benzenecarboximidamide hydrochloride

[Synonym ]:
4-methylsulfonylbenzenecarboximidamide,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
386.3ºC at 760mmHg

[ Molecular Formula ]:
C8H11ClN2O2S

[ Molecular Weight ]:
234.70300

[ Flash Point ]:
187.5ºC

[ Exact Mass ]:
234.02300

[ PSA ]:
92.39000

[ LogP ]:
3.05700

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV6292000
CHEMICAL NAME :
Benzamidine, p-(methylsulfonyl)-, hydrochloride
CAS REGISTRY NUMBER :
5434-06-0
LAST UPDATED :
198806
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H10-N2-O2-S.Cl-H
MOLECULAR WEIGHT :
234.72

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,160,1945
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 2,523,1944
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,160,1945

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-(Methylsulfanyl)benzonitrile
  • 4-Nitrobenzonitrile
  • 4-(Methylsulfonyl)benzonitrile

DownStream

Related Compounds

  • 2-(2-Cyclopropylphenyl)-2,2-difluoroacetic acid
  • 1-[(Quinolin-3-yl)methyl]cyclopropan-1-amine
  • Methyl 3-(2-cyclopropylphenyl)-2-hydroxypropanoate
  • 1-(3-Methyl-4-nitrophenyl)cyclopropane-1-carboxylic acid
  • 3-(Benzyloxy)-4,5-difluorobenzoic acid
  • 4-(Aminomethyl)-4-(2-methanesulfonylethyl)cyclohexan-1-ol
  • 3-(5-Chloro-2-ethoxyphenyl)propanenitrile
  • rac-3-[(1R,3S)-3-(aminomethyl)cyclopentyl]-1-cyclopentylurea
  • 2-(2,4-Difluoro-3-(methoxymethoxy)-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 1-(2,3-dihydro-1H-inden-4-yl)-4,4-difluorocyclohexan-1-amine
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