Cinnamonitrile

Names

[ CAS No. ]:
4360-47-8

[ Name ]:
Cinnamonitrile

[Synonym ]:
2-Propenenitrile,3-phenyl-
EINECS 224-441-5
MFCD00001930

Chemical & Physical Properties

[ Density]:
1.028 g/mL at 25ºC(lit.)

[ Boiling Point ]:
254-255ºC

[ Melting Point ]:
18-20ºC

[ Molecular Formula ]:
C9H7N

[ Molecular Weight ]:
129.15900

[ Flash Point ]:
>230 oF

[ Exact Mass ]:
129.05800

[ PSA ]:
23.79000

[ LogP ]:
2.22338

[ Index of Refraction ]:
n20/D 1.601(lit.)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD1440000
CHEMICAL NAME :
2-Propenenitrile, 3-phenyl-
CAS REGISTRY NUMBER :
4360-47-8
BEILSTEIN REFERENCE NO. :
1209545
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H7-N
MOLECULAR WEIGHT :
129.17
WISWESSER LINE NOTATION :
NC1U1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,721,1976 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,721,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
34 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26;S36

[ WGK Germany ]:
3

[ RTECS ]:
UD1440000

[ Packaging Group ]:
III

Synthetic Route

Precursor & DownStream

Precursor

  • Cinnamaldehyde
  • (2E)-N-methoxy-N-methyl-3-phenylprop-2-enamide
  • Cinnamyl alcohol
  • 4-azidohepta-1,6-(E)-(3-azidoprop-1-enyl)benzene
  • 3-Phenyl-prop-2-enal oxime
  • Iodobenzene
  • Acrylonitrile
  • Cinnamamide
  • Benzaldehyde
  • Acetonitrile

DownStream

  • 3-Phenylpentanedioic acid
  • 4-OXO-3-PHENYL-PENTANENITRILE
  • 4-phenyl-1H-Pyrazole-3-carbonitrile
  • Methyl cinnamate
  • Benzenepropanenitrile
  • 3-phenylpropanamine
  • 3-Phenylpropanamide
  • Hydrocinnamic acid
  • Cinnamaldehyde

Related Compounds

  • Cinnamonitrile
  • cinnamonitrilee
  • (Z)-cinnamonitrile
  • (Z)-α-cinnamonitrile
  • p-Nitrocinnamonitrile
  • m-nitrocinnamonitrile