2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-2-cyano-, ethyl ester

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Names

[ CAS No. ]:
2286-56-8

[ Name ]:
2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-2-cyano-, ethyl ester

[Synonym ]:
MFCD00022988

Chemical & Physical Properties

[ Density]:
1.305g/cm3

[ Boiling Point ]:
397.1ºC at 760mmHg

[ Melting Point ]:
95-97ºC

[ Molecular Formula ]:
C13H11NO4

[ Molecular Weight ]:
245.23100

[ Flash Point ]:
173.7ºC

[ Exact Mass ]:
245.06900

[ PSA ]:
68.55000

[ LogP ]:
1.88538

[ Vapour Pressure ]:
1.63E-06mmHg at 25°C

[ Index of Refraction ]:
1.594

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GD8565000
CHEMICAL NAME :
Cinnamic acid, alpha-cyano-3,4-methylenedioxy-, ethyl ester
CAS REGISTRY NUMBER :
2286-56-8
BEILSTEIN REFERENCE NO. :
0089472
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H11-N-O4
MOLECULAR WEIGHT :
245.25
WISWESSER LINE NOTATION :
T56 BO DO CHJ G1UYCN&VO2

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 :
320 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#03294

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2932999099

Precursor & DownStream

Precursor

  • piperonal
  • Ethyl cyanoacetate
  • 1,2-bis(benzo[d][1,3]dioxol-5-yl)ethane-1,2-diol
  • Ethanol
  • 2-cyano-3-(3',4'-methylenedioxy-1'-phenyl)acrylic acid

DownStream

  • 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-{[1-(2,5-Dimethylfuran-3-carbonyl)piperidin-4-yl]oxy}-5-(pyridin-4-yl)pyrimidine
  • 5-bromo-N-{2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}furan-2-carboxamide
  • 4-chloro-1-{[1-(2-ethoxybenzenesulfonyl)azetidin-3-yl]methyl}-1H-pyrazole
  • 4-chloro-1-({1-[2-(trifluoromethoxy)benzenesulfonyl]azetidin-3-yl}methyl)-1H-pyrazole
  • 2-tert-butyl-1-{1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl}-1H-1,3-benzodiazole
  • 3-{2-[3-(2-tert-butyl-1H-1,3-benzodiazol-1-yl)azetidin-1-yl]-2-oxoethyl}-5,6-dimethyl-3,4-dihydropyrimidin-4-one
  • N-[(1-methanesulfonyl-4-methoxypiperidin-4-yl)methyl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
  • N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-9H-xanthene-9-carboxamide
  • N'-{2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-N-(1,2-oxazol-3-yl)ethanediamide
  • 1-[1-(5-bromopyridine-3-carbonyl)azetidin-3-yl]-2-tert-butyl-1H-1,3-benzodiazole
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