Basic information
- CAS
113255-70-2- Standard SMILES
COc1cc2c3c(ccc4c5ccc6c7c(cc(OC)c(c1c34)c75)-c1ccccc1C6=O)C(=O)c1ccccc1-2- InChIKey
JXUKQCUPTNLTCS-UHFFFAOYSA-N- Molecular formula
- C36H20O4
- Average molar mass
- 516.5 g/mol
- Monoisotopic mass
- 516.13615912
Names & identifiers
- Preferred name
- C.I. Vat Green 1
- IUPAC
- 30,34-dimethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
- English name
- Vat Green 1
- Molecular formula
- C36H20O4
- Molecular weight
- 516.54
Names & synonyms
Show more names
Database identifiers
- CAS
113255-70-2、12663-53-5、128-58-5- PubChem CID
- 31410
- DTXSID
DTXSID4044531- UNII
- 5C13513T4R
- EC Number
- 204-896-6、814-890-0、841-225-1
- Nikkaji
- J5.408I
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 971
Experimental & physicochemical properties
Physical Description
Dry Powder
Solid; [MSDSonline]
Physicochemical properties
- Boiling point
- 521.39 °C · 521.39°C (rough estimate)
- Density
- 1.1534 · 1.1534 (rough estimate)
- refractive index
- 1.476 · 1.4760 (estimate)
- form
- Solid
- color
- Green to dark green
- Stability
- Stable. Incompatible with strong oxidizing agents.
- CAS DataBase Reference
- 128 · 128-58-5(CAS DataBase Reference)
- FDA 21 CFR
- 73.312 · 73.3120
- FDA UNII
- 5 C13513T4R · 5C13513T4R
- EPA Substance Registry System
- 16 · Violanthrone, 16,17-dimethoxy- (128-58-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- Hazardous Substances Data
- 128 · 128-58-5(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 39.4% (26 of 66) of reports.
Warning
H319 (59.1%): 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 66 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
Hazard information
Regulatory Information
Chemical: Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, 16,17-dimethoxy-
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dimethoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 16,17-dimethoxyviolanthrene-5,10-dione (EC: 204-896-6)
Anthra9,1,2-cdebenzorstpentaphene-5,10-dione, 16,17-dimethoxy-: 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
Eye Irrit. 2 (59.1%)
Not Classified
Not Classified
Toxicology
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
- Hazardous Substances Data
- 128-58-5(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as dye for viscose, silk, wool, paper, and soap; [HSDB]
Pulp and Paper Processing [Category: Industry]
DYE
DYE FOR COLORING & PRINTING OF VISCOSE, SILK & WOOL
DYE FOR PAPER & SOAP
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) 1.83X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1981) 7.94X10+7 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
2023: 16,534 lb
(1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS
(1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS
Methods of Manufacturing
METHYLATION OF OXIDIZED VIOLANTHRONE IN NITROBENZENE; FUSION OF 2-METHOXYBENZANTHRONE WITH CAUSTIC POTASH; OXIDATION OF BENZANTHRONE WITH MANGANESE DIOXIDE IN SULFURIC ACID, THEN CONDENSATION WITH ALCOHOLIC CAUSTIC POTASH & ALKYLATION; METHYLATION OF 16,17-DIHYDROVIOLANTHRONE
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dimethoxy-: ACTIVE
"INDANTHRENE" TRADEMARK FOR A SERIES OF VAT DYE-STUFFS USED FOR DYEING & PRINTING COTTON, RAYON, & SILK. CHARACTERIZED BY EXCELLENT FASTNESS TO LIGHT, WASHING, CHLORINE, ETC. /INDANTHRENE/
Applications
Uses16,17-Dimethoxyanthra[9,1,2-cde]-benzo[rst]pentaphene-5,10-dione is used in producing colored fibrous materials.
Preparation methods
Preparation(a) In nitrobenzene lieutenant Dinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione oxidation products were methylated; (b) will be 2-Methoxy-7H-benzo[de]anthracen-7-onewith Potassium hydroxide to alkali fusion; (C) will Benzanthrone in sulfuric acid with manganese dioxide oxidation, then use Potassium hydroxide Etanol solution condensation, then methylation; (d) will be 16,17-Dihydroxyviolanthrone methylation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
Related reactions
No reaction records under the current filter.
Compound notes
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