Basic information
- CAS
1328-45-6- Standard SMILES
O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(O)c5ccccc5c5ccc(nc12)c3c45- InChIKey
HHKPGQSPFVLKMV-UHFFFAOYSA-N- Molecular formula
- C31H15NO3
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.10519334
Names & identifiers
- Preferred name
- Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione
- IUPAC
- 27-hydroxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1,3,5(14),7,9,11,15,17(31),18,20(32),21,23,25,27,29-pentadecaene-6,13-dione
- English name
- Vat Green 3
- Molecular formula
- C31H15NO3
- Molecular weight
- 449.46
Names & synonyms
Vat Green 33271-76-9Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trioneDTXSID3062944Anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15(16H)-trione27-hydroxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1,3,5(14),7,9,11,15,17(31),18,20(32),21,23,25,27,29-pentadecaene-6,13-dione27-hydroxy-16-azaoctacyclo(18.10.2.02,15.05,14.07,12.017,31.021,26.028,32)dotriaconta-1,3,5(14),7,9,11,15,17(31),18,20(32),21,23,25,27,29-pentadecaene-6,13-dioneRefChem:558187DTXCID80385601328-45-6Anthra2,1,9-mnanaphth2,3-hacridine-5,10,15(16H)-trione221-897-7
Show more names
C.I. 69500C.I.VATGREEN3Olive Green BAhcovat Olive BLVat Olive Green BIntravat Olive 2BCibanone Olive B-01Fabrivat Olive Green B
603-679-7Tinon Olive BCibanone Olive BCibanone Olive FBAtic Vat Olive Green BAmanthrene Olive Green BIndanthren Olive Green BPonsol Green 2BL
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 902
Physicochemical properties
- Boiling point
- 557.88 °C · 557.88°C (rough estimate)
- Density
- 1.2566 · 1.2566 (rough estimate)
- refractive index
- 1.631 · 1.6310 (estimate)
- pka
- -2.68 · -2.68±0.20(Predicted)
- Water Solubility
- 0.03 ng/L · 0.03ng/L at 20℃
- LogP
- 8.5 at · 8.5 at 25℃
- CAS DataBase Reference
- 3271 · 3271-76-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · c.i. Vat green 3(3271-76-9)
- EPA Substance Registry System
- 2 · Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione (3271-76-9)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 95.8% (23 of 24) of all reports.
Not Classified
Aggregated GHS information provided per 24 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione
REACH registered substance: Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione (EC: 221-897-7)
Anthra2,1,9-mnanaphth2,3-hacridine-5,10,15(16H)-trione: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Not Classified
Aquatic Chronic 3 (66.7%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAnthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione: ACTIVE
Applications
UsesVat Green 3 is mainly used for dyeing cotton fibers and printing cotton fabrics. It has good evenness and affinity. It can also be used for dyeing blended fabrics such as vinylon/cotton and polyester/cotton, as well as wool and silk. However, it is more often used for color matching, such as matching with Vacuum Blue RSN and Vacuum Dark Blue BO to form Vacuum Dark Blue VB, matching with Vacuum Khaki GG to dye grass green, and matching with Vacuum Yellow GCN and Vacuum Gray BG to dye various shades of olive green.
Preparation methods
Preparationin Sodium carbonate and Cupric oxide under the existence of, in the boiling of naphthalene, 3-Bromo-6aH-benzo[de]anthracen-7(8H)-one and 1-Aminoanthracene-9,10-dione condensation,Then isobutanol cyclization with potassium hydroxide.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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