5-Amino-4-cyano-3-(cyanomethyl)pyrazole

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Names

[ CAS No. ]:
54711-21-6

[ Name ]:
5-Amino-4-cyano-3-(cyanomethyl)pyrazole

[Synonym ]:
EINECS 259-299-3
3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile
MFCD00022387

Chemical & Physical Properties

[ Density]:
1.43 g/cm3

[ Boiling Point ]:
520.9ºC at 760 mmHg

[ Melting Point ]:
198-200°C

[ Molecular Formula ]:
C6H5N5

[ Molecular Weight ]:
147.13700

[ Flash Point ]:
268.8ºC

[ Exact Mass ]:
147.05400

[ PSA ]:
102.28000

[ LogP ]:
0.51086

[ Index of Refraction ]:
1.617

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6250000
CHEMICAL NAME :
4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-
CAS REGISTRY NUMBER :
54711-21-6
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H5-N5
MOLECULAR WEIGHT :
147.16
WISWESSER LINE NOTATION :
T5MNJ C1CN DCN EZ

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 :
100 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#00798

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
3276

[ HS Code ]:
2933199090

Precursor & DownStream

Precursor

  • Tricyanoaminopropene
  • Malononitrile
  • Hydrazine hydrate
  • Ethanol

DownStream

  • 1H-Pyrazole-3-aceticacid, 5-amino-4-(aminocarbonyl)-
  • 1H-pyrazole-3-acetic acid, 5-amino-
  • 1H-Pyrazolo[4,3-c]pyridine-7-carboxylicacid,3-amino-4-hydroxy-(6CI)
  • 4-bromo-N-[(E)-(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzohydrazide
  • Pyrazolo[1,5-a]pyridine-3,4-dicarbonitrile,2-amino-5,7-dimethyl-

Customs

[ HS Code ]: 2933199090

[ Summary ]:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
  • 5-amino-4-cyano-3-(4-dimethylamino-phenylamino)-pyrazole
  • 5-amino-4-cyano-3-methylsulfonyl-1-phenyl-1H-pyrazole
  • 5-amino-4-cyano-3-methylthio-1-(2,4,6-trichlorophenyl)pyrazole
  • 5-Amino-4-cyano-3-methyl-1-phenyl-pyrrol-2-carbonsaeure-ethylester
  • 5-amino-4-cyano-3-methyl-N-propan-2-ylpyrazole-1-carbothioamide
  • 2-(3-Chlorophenyl)-4-(ethylsulfanyl)pyrazolo[1,5-a]pyrazine
  • 2-(benzo[d][1,3]dioxol-5-yl)-N-(benzo[d]thiazol-2-yl)-N-benzylacetamide
  • 4-(Benzylthio)-2-(4-isopropylphenyl)pyrazolo[1,5-a]pyrazine
  • 4-[(2-Fluorobenzyl)thio]-2-(4-isopropylphenyl)pyrazolo[1,5-a]pyrazine
  • 4-[(3-Fluorobenzyl)thio]-2-(4-isopropylphenyl)pyrazolo[1,5-a]pyrazine
  • 2-(4-Isopropylphenyl)-4-[(3-methoxybenzyl)thio]pyrazolo[1,5-a]pyrazine
  • 2-(4-Isopropylphenyl)-4-(methylthio)pyrazolo[1,5-a]pyrazine
  • 2-(4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)-N-(p-tolyl)acetamide
  • 2-(1H-benzo[d]imidazol-1-yl)-1-(4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)ethanone
  • 2-(benzo[d][1,3]dioxol-5-yl)-N-benzyl-N-(6-chlorobenzo[d]thiazol-2-yl)acetamide
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