5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole

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Names

[ CAS No. ]:
7152-40-1

[ Name ]:
5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole

[Synonym ]:
5-Amino-4-cyano-1-phenyl-3-pyrazoleacetonitrile
4-Pyrazolecarbonitrile,5-amino-3-cyanomethyl-1-phenyl
5-amino-3-cyanomethyl-1-phenylpyrazolecarbonitrile
1H-Pyrazole-3-acetonitrile,5-amino-4-cyano-1-phenyl
5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
EINECS 230-496-6
5-amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
MFCD00020729
1-Phenyl-3-cyanomethyl-4-cyano-5-aminopyrazole

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
486.8ºC at 760 mmHg

[ Melting Point ]:
164-165°C

[ Molecular Formula ]:
C12H9N5

[ Molecular Weight ]:
223.23300

[ Flash Point ]:
248.2ºC

[ Exact Mass ]:
223.08600

[ PSA ]:
91.42000

[ LogP ]:
1.97346

[ Index of Refraction ]:
1.673

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6260000
CHEMICAL NAME :
4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-1-phenyl-
CAS REGISTRY NUMBER :
7152-40-1
BEILSTEIN REFERENCE NO. :
0217441
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-N5
MOLECULAR WEIGHT :
223.26
WISWESSER LINE NOTATION :
T5NNJ AR& 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 :
10 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#00799

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S22-S36/37-S45-S36/37/39-S28-S27

[ RIDADR ]:
3276

[ RTECS ]:
UQ6260000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2933199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Tricyanoaminopropene
  • Phenylhydrazine
  • Malononitrile
  • Ethanol

DownStream

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-(cyanomethyl)pyrazole
  • 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-1-(4-fluorophenyl)
  • 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-methylsulfonyl-1-phenyl-1H-pyrazole
  • 5-Chloro-3,4-dihydro-2H-pyrano[2,3-d]pyridazine
  • (3-Bromo-2-chloro-5-nitro-pyridin-4-yl)-cyclohexyl-amine
  • Ethyl 6-formyl-3,4-dihydro-2H-pyran-5-carboxylate
  • 2,3,4,6-Tetrahydropyrano[2,3-d]pyridazin-5-one
  • Cyclopentanecarbonitrile, 3-[(methylsulfonyl)oxy]-
  • Methyl 2-amino-4-(3-chloro-2-pyridinyl)benzoate
  • Bicyclo[1.1.1]pentan-2-ylmethanamine
  • 5-[(2-Hydroxyphenyl)methylene]-3-(4-methylphenyl)-2-thioxo-4-imidazolidinone
  • 3-(3-Methoxy-4-methylphenyl)prop-2-en-1-ol
  • 7-bromo-6-chloro-1-cyclohexyl-2-methyl-1H-imidazo[4,5-c]pyridine
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