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Substance Name: Acrylic acid, 3-(5-nitro-2-furyl)-, ethyl ester
RN: 1874-12-0
InChIKey: WGROOPOBLKUOMN-GQCTYLIASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C9-H9-N-O5

Molecular Weight

  • 211.172
 
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Names and Synonyms

Synonyms

  • 3-(5-Nitro-2-furanyl)-2-propenoic acid ethyl ester
  • 5-Nitro-2-furylacrylic acid, ethyl ester
  • Acrylic acid, 3-(5-nitro-2-furyl)-, ethyl ester
  • AI3-17339
  • CCRIS 5635
  • Ethyl 3-(5-nitro-2-furanyl)-2-propenoate
  • Ethyl 3-(5-nitro-2-furyl)acrylate
  • Ethyl 5-nitro-2-furanacrylate
  • Ethyl beta-(5-nitro-2-furyl)acrylate
  • NF 23
  • NSC 6477

Systematic Names

  • 2-Furanacrylic acid, 5-nitro-, ethyl ester (8CI)
  • 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, ethyl ester
  • 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, ethyl ester (9CI)
  • 5-Nitro-2-furanacrylic acid, ethyl ester
  • Acrylic acid, 3-(5-nitro-2-furyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 1874-12-0

System Generated Number

  • 0001874120

Structure Descriptors

InChI

1S/C9H9NO5/c1-2-14-9(11)6-4-7-3-5-8(15-7)10(12)13/h3-6H,2H2,1H3/b6-4+

InChIKey

WGROOPOBLKUOMN-GQCTYLIASA-N

Smiles

c1(oc([N+](=O)[O-])cc1)\C=C\C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3500mg/kg (3500mg/kg)   Surgery, Gynecology and Obstetrics. Vol. 83, Pg. 73, 1946.
rat LD50 subcutaneous > 4gm/kg (4000mg/kg)   Surgery, Gynecology and Obstetrics. Vol. 83, Pg. 73, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.1 (none)   EXP
Water Solubility 251 mg/L 25 EST
Vapor Pressure 3.40E-04 mm Hg 25 EST
Henry's Law Constant 2.16E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.62E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.