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5-Hydroxy-1,4-naphthoquinone 97%

CAT: 0286-H15510-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-H15510-01Size:1 g
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CAS Number
481-39-0
Synonyms
Juglone; 8-Hydroxy-1,4-naphthoquinone
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00001684
Hazard Statement
H300 Fatal if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H400 Very toxic to aquatic life.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310 Immediately call a POISON CENTER or doctor/physician; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P391 Collect spillage. Hazardous to the aquatic environment.

Chemical Information

Juglone

Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. It has a role as a geroprotector, a herbicide and a reactive oxygen species generator.

CAS Number481-39-0
PubChem CID3806
IUPAC Name5-hydroxynaphthalene-1,4-dione
Molecular FormulaC10H6O3
Molecular Weight174.15
XLogP1.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity280
SMILES
C1=CC2=C(C(=O)C=CC2=O)C(=C1)O
InChI
InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
InChIKey
KQPYUDDGWXQXHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Juglone
CAS: 481-39-0
CID: 3806
Formula: C10H6O3
MW: 174.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.15
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass174.031694049
Monoisotopic Mass174.031694049
Topological Polar Surface Area54.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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