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498-60-2

498-60-2 structural image
Product Name: 3-Furaldehyde
Formula: C5H4O2
Synonyms: 3-Furaldehyde
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow or brown liquid with an almond-like odor; [Alfa Aesar MSDS]
Vapor Pressure 5.33 [mmHg]
Kovats Retention Index 801 804 806
Chemical Classes Other Classes -> Aldehydes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 96.08 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 96.021129366 g/mol
Monoisotopic Mass 96.021129366 g/mol
Topological Polar Surface Area 30.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 70.5
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-furaldehyde is an aldehyde that is furan substituted by a formyl group at position 3. It has a role as a metabolite. It is a member of furans and an aldehyde. It derives from a hydride of a furan.

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