1,8-Dinitro-9,10-anthraquinone
Basic information
- CAS
129-39-5- Standard SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c1cccc2[N+](=O)[O-]- InChIKey
MBIJFIUDKPXMAV-UHFFFAOYSA-N- Molecular formula
- C14H6N2O6
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.02258591
Names & identifiers
- Preferred name
- 1,8-Dinitro-9,10-anthraquinone
- IUPAC
- 1,8-dinitroanthracene-9,10-dione
- English name
- 1,8-Dinitroanthraquinone
- Molecular formula
- C14H6N2O6
- Molecular weight
- 298.21
Names & synonyms
1,8-Dinitroanthraquinone129-39-59,10-Anthracenedione, 1,8-dinitro-1,8-dinitro-9,10-anthraquinoneWaxoline Violet BAAlizarine Violet R BaseC.I. Solvent Violet 14Anthraquinone, 1,8-dinitro-EINECS 204-943-0NSC 37108NSC-37108P0846316GX
Show more names
1,8-Dinitroanthraquinone 97%1,8-dinitro-10-anthracenedione10-Anthracenedione,1,8-dinitro-91,8-Dinitro-9,10-anthracenedione1,8-DINITRO ANTHRAQUINONE 97% MIN
DTXSID9059599RefChem:417907DTXCID9033923Anthraquinone, 1,8-dinitro-(8CI)204-943-01,8-Dinitroanthracene-9,10-dioneMFCD00604817UNII-P0846316GX
Database identifiers
- CAS
129-39-5- PubChem CID
- 67210
- DTXSID
DTXSID9059599- UNII
- P0846316GX
- EC Number
- 204-943-0
- Nikkaji
- J134.828K
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
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 318 · 318-322 °C (lit.)
- Boiling point
- 563.4 · 563.4±50.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, Inert atmosphere
- solubility
- DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
- form
- Solid
- color
- Yellow
- InChI
- InChI=1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H
- InChIKey
- MBIJFIUDKPXMAV-UHFFFAOYSA-N
- SMILES
- C1([N+]([O-])=O)=C2C(C(=O)C3=C(C2=O)C([N+]([O-])=O)=CC=C3)=CC=C1
- FDA UNII
- 846316 GX · P0846316GX
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,8-dinitro- (129-39-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 4.1A - Other explosive hazardous materials
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,8-dinitro-: INACTIVE
Applications
Uses1,8-Dinitroanthracene-9,10-dione is used in preparation method of disperse dyes using 1-aminoanthraquinone DMF residue.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
19 records
Compound notes
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