1,6-Dinitroanthraquinone

HCID 74146
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Basic information

CAS
1604-42-8
Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2C(=O)c2c1cccc2[N+](=O)[O-]
InChIKey
UQKJUEALIQRECQ-UHFFFAOYSA-N
Molecular formula
C14H6N2O6
Average molar mass
298.21 g/mol
Monoisotopic mass
298.02258592

Names & identifiers

Preferred name
1,6-Dinitroanthraquinone
IUPAC
1,6-dinitroanthracene-9,10-dione
English name
1,6-dinitroanthraquinone
Molecular formula
C14H6N2O6
Molecular weight
298.21

Names & synonyms

1,6-Dinitroanthraquinone1,6-dinitroanthracene-9,10-dione1604-42-8EINECS 216-512-41,6-dinitro-anthraquinone1,6-DinitroanthrachinonSCHEMBL10948128SCHEMBL30173663DTXSID00166877NS000252251,6-Dinitro-9,10-anthracenedione9,10-Anthracenedione, 1,6-dinitro-

Database identifiers

CAS
1604-42-8
PubChem CID
74146
DTXSID
DTXSID00166877
EC Number
216-512-4
Nikkaji
J195.221H

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
126 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
22

Physicochemical properties

Melting point
257 · 257-259 °C(Solv: acetic acid (64-19-7))
Boiling point
563.4 · 563.4±50.0 °C(Predicted)
Density
1.631 · 1.631±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

10 records
New reaction record

Compound notes

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