Coumarin-3-carbonitrile

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Names

[ CAS No. ]:
15119-34-3

[ Name ]:
Coumarin-3-carbonitrile

[Synonym ]:
Coumarin-3-carbonitrile
MFCD00115699
3-CYANOCOUMARIN
2-oxochromene-3-carbonitrile

Chemical & Physical Properties

[ Density]:
1.34 g/cm3

[ Boiling Point ]:
350.7ºC at 760 mmHg

[ Melting Point ]:
184-188 °C(lit.)

[ Molecular Formula ]:
C10H5NO2

[ Molecular Weight ]:
171.15200

[ Flash Point ]:
167.2ºC

[ Exact Mass ]:
171.03200

[ PSA ]:
54.00000

[ LogP ]:
1.66468

[ Vapour Pressure ]:
4.32E-05mmHg at 25°C

[ Index of Refraction ]:
1.621

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2218100
CHEMICAL NAME :
2H-1-Benzopyran-3-carbonitrile, 2-oxo-
CAS REGISTRY NUMBER :
15119-34-3
BEILSTEIN REFERENCE NO. :
0142122
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H5-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 41,391,1983

Safety Information

[ WGK Germany ]:
3

[ RTECS ]:
DJ2218100

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Salicylaldehyde
  • Cyanoacetic acid
  • Malononitrile
  • 2-iminochromene-3-carbonitrile
  • 2-Propenenitrile, 3,3-bis(ethylthio)
  • 2-Methylbenzyl Alcohol
  • Ethyl cyanoacetate
  • 2-[(2-hydroxyphenyl)methylidene]propanedinitrile
  • 8-Acetyl dimethoxycoumarin
  • Acetic acid, 2-cyano-,2-acetylhydrazide

DownStream

  • 3-(2-benzothiazolyl)-2H-1-benzopyran-2-one
  • Coumarin
  • Ethyl coumarin-3-carbaoxylate
  • Coumarin-3-carboxylic acid
  • 2-oxochromene-3-carboxamide
  • 2H-1-Benzopyran-2-one,3-methyl-
  • 2-(3-methyl-2-oxochroman-4-yl)acetonitrile
  • 3-(2-Hydroxyphenyl)propanenitrile

Related Compounds

  • 5-(2-Methylcyclopropyl)-4H-1,2,4-triazol-3-amine
  • 1,3-Propanediamine, N1-1H-pyrazol-4-yl-
  • Methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)isonicotinate
  • 4-Benzyloxy-6-bromo-2-cyclopropyl-1-methyl-1H-benzimidazole
  • 15-deoxyprostaglandin J2
  • 85Qbl53hnb
  • 3-(4-Methylpyrimidin-2-yl)propan-1-amine
  • 6-bromo-4-fluoro-2-methyl-1H-benzo[d]imidazole
  • (6-Aminopyridin-2-yl)(2-isopropylpyrrolidin-1-yl)methanone
  • (E)-cyclopropylmethyl hex-3-enoate