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92-55-7

Basic Information
CAS No.: 92-55-7
Name: 5-Nitro-2-furaldehyde diacetate
Article Data: 16
Molecular Structure:
Molecular Structure of 92-55-7 (5-Nitro-2-furaldehyde diacetate)
Formula: C9H9NO7
Molecular Weight: 243.173
Synonyms: 2-Furanmethanediol,5-nitro-, diacetate (6CI);Methanediol, (5-nitro-2-furanyl)-, diacetate (ester)(8CI,9CI);2-(Diacetoxymethyl)-5-nitrofuran;5-Nitro-2-furanmethanedioldiacetate;5-Nitro-2-furfurylidene diacetate;5-Nitrofurfural diacetate;NSC 5411;5-Nitrofurfurylidene diacetate;
EINECS: 202-166-1
Density: 1.396 g/cm3
Melting Point: 89-93 °C
Boiling Point: 310.3 °C at 760 mmHg
Flash Point: 141.5 °C
Appearance: yellow fine crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 68-40
Safety: 24/25-36-22
PSA: 111.56000
LogP: 1.83580
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Chemistry

Structure of 5-Nitrofurfurylidene diacetate (CAS NO.92-55-7):

IUPAC Name: [Acetyloxy-(5-nitrofuran-2-yl)methyl] acetate
Empirical Formulae: C9H9NO7
Molecular Weight: 243.1703
EINECS: 202-166-1
Index of Refraction: 1.51
Density: 1.396 g/cm3
Flash Point: 141.5 °C
Enthalpy of Vaporization: 55.11 kJ/mol
Boiling Point: 310.3 °C at 760 mmHg
Vapour Pressure: 0.000605 mmHg at 25 °C
Melting point: 89-93 °C
Sensitive: Light Sensitive
BRN: 255089
XLogP3: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 7
H bond acceptors: 8
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 111.56 ?2
Product Categories: Aromatic Aldehydes & Derivatives (substituted)
Canonical SMILES: CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C
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
InChIKey: HSXKWKJCZNRMJO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 5 µg/plate

    MUREAV    Mutation Research. 192 (1987),15.
2.    

mma-sat 5 µg/plate

    MUREAV    Mutation Research. 192 (1987),15.
3.    

mmo-esc 10 µg/plate

    MUREAV    Mutation Research. 26 (1974),3.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes: HarmfulXn
Risk Statements: 68-40
R68:Possible risk of irreversible effects. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 24/25-36-22
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing. 
S22:Do not breathe dust.
RTECS: LU1940000

Specification

 5-Nitrofurfurylidene diacetate , its cas register number is 92-55-7. It also can be called (Acetyloxy)(5-nitro-2-furyl)methyl acetate ; (5-Nitrofuran-2-yl)methanediyl diacetate and 5-Nitro-2-furaldehyde diacetate . It is a yellow fine crystalline powder.