9,10-Anthracenedione, 1,5-dinitro-
Basic information
- CAS
82-35-9- Standard SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21- InChIKey
XVMVHWDCRFNPQR-UHFFFAOYSA-N- Molecular formula
- C14H6N2O6
- Average molar mass
- 298.21 g/mol
- Monoisotopic mass
- 298.02258591
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-dinitro-
- IUPAC
- 1,5-dinitroanthracene-9,10-dione
- English name
- 1 5-Dinitroanthraquinone 97
- Molecular formula
- C14H6N2O6
- Molecular weight
- 298.21
Names & synonyms
1,5-Dinitroanthraquinone1,5-Dinitroanthrachinon9,10-Anthracenedione, 1,5-dinitro-1,5-Dinitroanthrachinon [Czech]EINECS 201-414-6NSC 37583BRN 2008432ANTHRAQUINONE, 1,5-DINITRO-DTXSID40588694-07-00-02562 (Beilstein Handbook Reference)RefChem:548591DTXCID2048246
Show more names
1,5-dinitroguanidine1,5-DINITROANTHRAOUINONE1,5-dinitro-anthraquinon1 5-Dinitroanthraquinone 971,5-dinitro-9,10-anthraquinone1,5-dinitro-10-anthracenedione1,5-Dinitro-9,10-anthracenedione
201-414-682-35-91,5-dinitroanthracene-9,10-dioneMFCD00185867NSC375839, 1,5-dinitro-Anthraquinone,5-dinitro-1,5-dinitro-anthraquinone
Database identifiers
- CAS
82-35-9- PubChem CID
- 6705
- DTXSID
DTXSID4058869- EC Number
- 201-414-6
- Nikkaji
- J55.391C
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
- 488
Physicochemical properties
- Melting point
- 250 °C · 250 °C (dec.) (lit.)
- Boiling point
- 439.64 °C · 439.64°C (rough estimate)
- Density
- 1.4281 · 1.4281 (rough estimate)
- refractive index
- 1.591 · 1.5910 (estimate)
- solubility
- Acetonitrile (Very Slightly), DMSO (Slightly), Methanol (Very Slightly)
- form
- Solid
- color
- Pale Yellow to Yellow
- InChI
- 1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)8-4-2-6-10(12(8)13)16(21)22/h1-6H
- InChIKey
- XVMVHWDCRFNPQR-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1cccc2C(=O)c3c(cccc3[N+]([O-])=O)C(=O)c12
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-dinitro- (82-35-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CB6950000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 4.1A - Other explosive hazardous materials
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-dinitro-: INACTIVE
Applications
Uses1,5-Dinitroanthraquinone has been used in a study to understand the effect of its oxygenous substituents on the color ratio, when it is a part of spectral flare compositions. It may be used to prepare 3,4,7,8-tetrabromo-1,5-dinitroanthraquinone via bromination using molecular bromine and nitric acid as a co-reagent.
General Description1,5-Dinitroanthraquinone is formed as one of the products during the nitration of anthraquinone.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
19 records
Compound notes
Loading…