Basic information
- Standard SMILES
Nc1ccc2c(c1)C(=O)c1ccccc1C2=O- InChIKey
XOGPDSATLSAZEK-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 2-Aminoanthraquinone
- IUPAC
- 2-aminoanthracene-9,10-dione
- English name
- 2-AMINOANTHRAQUINONE
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
2-AMINOANTHRAQUINONE117-79-39,10-Anthracenedione, 2-amino-2-Amino-9,10-anthraquinone2-Amino-9,10-anthracenedioneAnthraquinone, 2-amino-beta-AminoanthraquinoneNCI-C01876beta-AnthraquinonylamineDTXSID60200682-amino-9,10-dihydroanthracene-9,10-dioneNSC-5
Show more names
AAQ80.0%(LC)AKOS NCG-004810-AnthracenedionAminoanthraquinoneANTHRAQUINONYLAMINETIMTEC-BB SBB000619
65Z03V2Z09DTXCID2068RefChem:85362204-208-42-aminoanthracene-9,10-dione2-Amino-anthraquinone2-AAQNSC 5
Database identifiers
- CAS
117-79-3- PubChem CID
- 8341
- DTXSID
DTXSID6020068- ChEMBL
CHEMBL84685- ChEBI
CHEBI:34258- UNII
- 65Z03V2Z09
- EC Number
- 204-208-4
- Nikkaji
- J55.384K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 292 · 292-295 °C (dec.)(lit.)
- Boiling point
- 364.52 °C · 364.52°C (rough estimate)
- Density
- 1.1814 · 1.1814 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- Flash point
- 283 °C · 283°C
- storage temp.
- 2 · 2-8°C, protect from light
- solubility
- ethanol: soluble(lit.)
- pka
- 0.97 · 0.97±0.20(Predicted)
- form
- solid
- color
- Brown
- Water Solubility
- 163 ug/L · 163ug/L(25 ºC)
- BRN
- 745903 · 745903
- Henry's Law Constant
- 1.1 · 1.1×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
- InChIKey
- XOGPDSATLSAZEK-UHFFFAOYSA-N
- SMILES
- Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
- Toxicology and Carcinogenesis
- 2 · Bioassay of 2-Aminoanthraquinone for Possible Carcinogenicity (CASRN 117-79-3)
- CAS DataBase Reference
- 117 · 117-79-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 65 Z03V2Z09 · 65Z03V2Z09
- Proposition 65 List
- 2 · 2-Aminoanthraquinone
- IARC
- 3 · 3 (Vol. 27, Sup 7) 1987
- EPA Substance Registry System
- 2 · 2-Aminoanthraquinone (117-79-3)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H341-H351
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P308+P313-P405-P501-P281-P280h
- PPE
- 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 36 · 36/37/39
- WGK Germany
- 3 · 3
- RTECS
- 5120000 · CB5120000
- TSCA
- TSCA listed
- PackingGroup
- II
- HS Code
- 2922290090 · 2922290090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Carc. 2
- Hazardous Substances Data
- 117 · 117-79-3(Hazardous Substances Data)
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB5120000
- hs_code
- 2922290090
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 36/37/39
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H302+H312+H332-H341-H351
- Hazard Classifications
- Carc. 2
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P308+P313-P405-P501-P281-P280h
- Hazardous Substances Data
- 117-79-3(Hazardous Substances Data)
Chemistry & industry
Applications
Uses2- Amino-3-hydroxyanthraquinone is an intermediate for CI Vat Red 10.
Uses2-Aminoanthraquinone was used in fabrication of high performance electrode of supercapacitor based on chemically modified graphene hydrogel. It was used in preparation of ordered assemblies of organic and biological molecules on gold(111) surfaces.
General Description2-aminoanthraquinone appears as red needle-like crystals or dark brown granular solid. (NTP, 1992)
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: 2-Aminoanthraquinone is an anthraquinone.
Related reactions
6 records
Linked notes
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