Chemical Properties of 2-(Diacetoxymethyl)-5-nitrofuran (CAS 92-55-7)

2-(Diacetoxymethyl)-5-nitrofuran

InChI
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
InChI Key
HSXKWKJCZNRMJO-UHFFFAOYSA-N
Formula
C9H9NO7
SMILES
CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1
Molecular Weight1
243.17
CAS
92-55-7
Other Names
  • 5-Nitro-2-furaldehyde diacetate
  • 5-Nitrofurfurylidene diacetate
  • 5-Nitrofurfural diacetate
  • Methanediol, (5-nitro-2-furanyl)-, diacetate
  • Methanediol, (5-nitro-2-furanyl)-, diacetate (ester)
  • Nitrofuraldehyde diacetate
  • 2-Furanmethanediol, 5-nitro-, 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
  • Methanediol, 1-(5-nitro-2-furanyl)-, 1,1-diacetate
  • NSC 5411
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Physical Properties

Property Value Unit Source
ω 0.7022 Relay (1.0) Calculated Property
ΔcH°solid -3930.00 ± 0.80 kJ/mol NIST
ΔfG° -401.19 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -772.00 ± 3.00 kJ/mol NIST
ΔfH°solid -897.90 ± 0.80 kJ/mol NIST
ΔvapH° 86.88 kJ/mol Relay (1.0) Calculated Property
IE 9.49 eV Relay (1.0) Calculated Property
log10WS -2.55 Relay (1.0) Calculated Property
logPoct/wat 1.313 Crippen Calculated Property
McVol 156.380 ml/mol McGowan Calculated Property
Pc 2820.37 kPa Relay (1.0-beta) Calculated Property
Tboil 524.86 K Relay (1.0) Calculated Property
Tc 767.63 K Relay (1.0) Calculated Property
Tfus 325.22 K Relay (1.0) Calculated Property
Vc 0.592 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 126.00 ± 3.00 kJ/mol 288.00 NIST

Similar Compounds

Pimozide. Inosine, 2',3',5'-tribenzoate. Riboflavin, 2',3',4',5'-tetrapropanoate. Uridine, 2',3',5'-tris-O-acetyl. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. Quinapril Me. «delta»1-tetrahydrocannabinolic acid, TMS. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Thymine, 1-alpha-l-rhamnopyranosyl-. Chanoclavine. Tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Hydrastine. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS.

Find more compounds similar to 2-(Diacetoxymethyl)-5-nitrofuran.

Sources

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