1,3,5-Pentanetricarbonitrile,3-phenyl-

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Names

[ CAS No. ]:
16320-20-0

[ Name ]:
1,3,5-Pentanetricarbonitrile,3-phenyl-

[Synonym ]:
3-phenyl-pentane-1,3,5-tricarbonitrile
3-Phenyl-1,3,5-pentanetricarbonitrile
3-Phenyl-pentan-1.3.5-tricarbonsaeure-trinitril
3-cyano-3-phenylpimelonitrile
3-Phenyl-pentan-1,3,5-tricarbonitril
3-Phenyl-pentane-1,3,5-tricarboxylic acid trinitrile
1,3,5-Pentanetricarbonitrile,3-phenyl
3-Cyan-3-phenyl-pentan-dicarbonsaeure-(1,5)-dinitril

Chemical & Physical Properties

[ Density]:
1.103g/cm3

[ Boiling Point ]:
500.5ºC at 760 mmHg

[ Molecular Formula ]:
C14H13N3

[ Molecular Weight ]:
223.27300

[ Flash Point ]:
252.1ºC

[ Exact Mass ]:
223.11100

[ PSA ]:
71.37000

[ LogP ]:
3.05554

[ Vapour Pressure ]:
3.76E-10mmHg at 25°C

[ Index of Refraction ]:
1.534

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA3275000
CHEMICAL NAME :
1,3,5-Pentanetricarbonitrile, 3-phenyl-
CAS REGISTRY NUMBER :
16320-20-0
BEILSTEIN REFERENCE NO. :
2619947
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H13-N3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,31,1953

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzyl cyanide
  • Acrylonitrile

DownStream

  • 3-PHENYLPIPERIDINE
  • 5-phenyl-1-aza-bicyclo[3.3.1]nonane
  • 4-cyano-4-phenyl-heptanedioic acid

Related Compounds

  • 1-(3,5-dichlorophenyl)-3-phenyl-1,3-diazinan-2-one
  • 1,1,3,5,5-Pentamethyl-3-phenyl-1,5-divinyltrisiloxane
  • 2H-1,3,5-Thiadiazine-2-thione,tetrahydro-5-methyl-3-phenyl-
  • 1-Propanone,1,1',1''-(1,3,5-benzenetriyl)tris[3-phenyl-
  • 3-methyl-6-phenyl-1,3,5-oxadiazine-2,4-dione
  • 8-phenyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 3-Methoxy-4-((3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methoxy)benzaldehyde
  • Ethyl 5-Bromo-1-Isopropyl-6-Methyl-2-oxo-1,2-Dihydropyridine-3-Carboxylate
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 1-Butanol, 4-[(3-chloro-4-fluorophenyl)amino]-
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde