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Substance Name: 5-Nitro-2-furanmethanediol diacetate
RN: 92-55-7
UNII: 7X0X1KNE3Q
InChIKey: HSXKWKJCZNRMJO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H9-N-O7

Molecular Weight

  • 243.17
 
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Names and Synonyms

Name of Substance

  • 5-Nitro-2-furanmethanediol diacetate

Synonyms

  • 2-(Diacetoxymethyl)-5-nitrofuran
  • 2-Furanmethanediol, 5-nitro-, diacetate
  • 5-17-09-00324 (Beilstein Handbook Reference)
  • 5-Nitro-2-furaldehyde diacetate
  • 5-Nitro-2-furan methandiol diacetate
  • 5-Nitro-2-furancarboxaldehyde diacetate
  • 5-Nitro-2-furanmethandiol diacetate
  • 5-Nitro-2-furanmethanediol diacetate
  • 5-Nitro-2-furfural diacetate
  • 5-Nitro-2-furfuraldehyde diacetate
  • 5-Nitrofuraldehyde diacetate
  • 5-Nitrofurfural diacetate
  • 5-Nitrofurfurylidene diacetate
  • AI3-23602
  • BRN 0255089
  • CCRIS 1191
  • EC 202-166-1
  • EINECS 202-166-1
  • Nitrofuraldehyde diacetate
  • NSC 5411
  • UNII-7X0X1KNE3Q

Systematic Names

  • 2-Furanmethanediol, 5-nitro-, diacetate
  • 5-Nitro-2-furanmethanediol diacetate
  • 5-Nitrofurfurylidene di(acetate)
  • Methanediol, (5-nitro-2-furanyl)-, diacetate (ester)
  • Methanediol, 1-(5-nitro-2-furanyl)-, 1,1-diacetate

Registry Numbers

CAS Registry Number

  • 92-55-7

FDA UNII

  • 7X0X1KNE3Q

Other Registry Number

  • 58928-41-9

System Generated Number

  • 0000092557

Structure Descriptors

InChI

1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3

InChIKey

HSXKWKJCZNRMJO-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 91 deg C   EXP
log P (octanol-water) 1.06 (none)   EXP
Water Solubility 1310 mg/L 25 EST
Vapor Pressure 6.35E-04 mm Hg 25 EST
Henry's Law Constant 1.33E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.71E-11 cm3/molecule-sec 25 EST

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