4-methylbenzenesulfonic acid; 1-oxo-2-(1H-pyridin-2-ylidenemethylamino)guanidine

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Names

[ CAS No. ]:
85894-16-2

[ Name ]:
4-methylbenzenesulfonic acid; 1-oxo-2-(1H-pyridin-2-ylidenemethylamino)guanidine

[Synonym ]:
1-(2-pyridinylsulfonyl)benzotriazole
1-(2-pyridylsulfonyl)-1H-1,2,3-benzotriazole
1-(2-Pyridinylsulfonyl)-1H-benzotriazole
1-[(2-pyridyl)sulfonyl]benzotriazole
1-[(2-pyridylmethylene)amino]-3-hydroxyguanidine tosylate

Chemical & Physical Properties

[ Boiling Point ]:
325.9ºC at 760 mmHg

[ Molecular Formula ]:
C14H17N5O4S

[ Molecular Weight ]:
351.38100

[ Flash Point ]:
150.9ºC

[ Exact Mass ]:
351.10000

[ PSA ]:
158.64000

[ LogP ]:
3.12270

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MV1697000
CHEMICAL NAME :
Hydrazinecarboximidamide, N-hydroxy-2-(2-pyridinylmethylene)-, mono(4- methylbenzenesulfonate) (salt)
CAS REGISTRY NUMBER :
85894-16-2
LAST UPDATED :
198606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H9-N5-O.C7-H8-O3-S
MOLECULAR WEIGHT :
351.42

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 :
315 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 27,236,1984

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Pyridinecarboxaldehyde
  • S-methylisothiosemicarbazide tosylate
  • Methyl p-toluenesulfonate

DownStream

Related Compounds

  • 2-(1-Bromo-2-oxopropyl)-4-carboxymandelic acid
  • 2-(1-Bromo-2-oxopropyl)-4-nitrobenzoic acid
  • 2-(1-Bromo-2-oxopropyl)-5-(carboxymethyl)cinnamic acid
  • 2-(1-Bromo-2-oxopropyl)-5-(chloromethyl)cinnamic acid
  • 2-(1-Bromo-2-oxopropyl)-4-fluoromandelic acid
  • 2-(1-Bromo-2-oxopropyl)-5-(difluoromethyl)phenylacetonitrile
  • 2-(1-Bromo-2-oxopropyl)-4-mercaptophenylacetic acid
  • 2-(1-Bromo-2-oxopropyl)-5-(cyanomethyl)mandelic acid
  • 2-(1-Bromo-2-oxopropyl)-4-nitrophenylacetonitrile
  • 2-(1-Bromo-2-oxopropyl)-5-(chloromethyl)phenylacetic acid
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