1,4-Dihydroxyanthraquinone

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Catalog Number
ACM81641
Product Name
1,4-Dihydroxyanthraquinone
Structure
Structure
CAS
81-64-1
Category
Organic & Printed Electronics
Description
DryPowder
Synonyms
1,4-dihydroxy-9,10-anthracenedione;1,4-DIHYDROXYANTHRAQUINONE;1,4 DIHYROXY AQ;DSD ACID;CI NO 58050;CI 58050;LABOTEST-BB LT00052844;PIGMENT VIOLET 12
IUPAC Name
1,4-dihydroxyanthracene-9,10-dione
Molecular Weight
240.21g/mol
Molecular Formula
C14H8O4
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChI Key
GUEIZVNYDFNHJU-UHFFFAOYSA-N
Melting Point
200.0 °C;196 °C
Solubility
MODERATELY SOL IN ALCOHOL WITH RED COLOR;SOL IN ETHER WITH BROWN COLOR & YELLOW FLUORESCENCE;SOL WITH VIOLET COLOR IN AQ ALKALIES & IN AMMONIA;1 G SOL IN ABOUT 13 G OF BOILING GLACIAL ACETIC ACID;SOL IN HOT WATER & BENZENE;SOL IN POTASSIUM HYDROXIDE & SULFURIC ACID
Color/Form
ORANGE CRYSTALS FROM ACETIC ACID; ORANGE PLATES FROM ETHER; DEEP RED NEEDLES FROM ALCOHOL, BENZENE, TOLUENE, XYLENE;YELLOW RED LEAFLETS FROM ETHER; RED CRYSTALS FROM TOLUENE, ACETIC ACID
Complexity
342
Covalently-Bonded Unit Count
1
EC Number
201-368-7
Exact Mass
240.042259g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
18
Monoisotopic Mass
240.042259g/mol
NSC Number
646569;229036;40899;15367
Other Experimental
IR: 16448 (Sadtler Research Laboratories IR Grating Collection) /1,5-Dihydroxyanthraquinone/;UV: 1-545 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /1,5-Dihydroxyanthraquinone/;MASS: 195 (Aldermaston, Eight Peak Index of Mass Spectra, UK) /1,5-Dihydroxyanthraquinone/;MASS: 195 (Aldermaston, Eight Peak Index of Mass Spectra, UK) /1,7-Dihydroxyanthraquinone/;IR: 5147 (Coblentz Society Spectral Collection) /1,8-Dihydroxyanthraquinone/;UV: 4318 (Sadtler Research Laboratories Spectral Collection) /1,8-Dihydroxyanthraquinone/;MASS: 195 (Aldermaston, Eight Peak Index of Mass Spectra, UK) /1,8-Dihydroxyanthraquinone/;IR: 7239 (Coblentz Society Spectral Collection) /2,6-Dihydroxyanthraquinone/;UV: 1-545 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /2,6-Dihydroxyanthraquinone/;IR: 3588 (Sadtler Research Laboratories Prism Collection) /2,7-Dihydroxyanthraquinone/
Rotatable Bond Count
0
Stability
BLACK PPT WITH CO2; SUBLIMES @ HIGH VACUUM
UNII
8S496ZV3CS
Vapor Pressure
2.43e-08 mmHg
XLogP3
3.7
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