C.I. Vat Yellow 2
Basic information
- CAS
129-09-9- Standard SMILES
O=C1c2ccc3nc(-c4ccccc4)sc3c2C(=O)c2ccc3nc(-c4ccccc4)sc3c21- InChIKey
GFFQNEGBFFGLQG-UHFFFAOYSA-N- Molecular formula
- C28H14N2O2S2
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.04967004
Names & identifiers
- Preferred name
- C.I. Vat Yellow 2
- IUPAC
- 6,16-diphenyl-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),3(11),4(8),6,9,14(18),16,19-octaene-2,12-dione
- English name
- Vat Yellow 2
- Molecular formula
- C28H14N2O2S2
- Molecular weight
- 474.55
Names & synonyms
Vat Yellow 2C.I. Vat Yellow 2Anthra YellowFlavon GCFlavone GC BaseTinon Yellow GCHeliane Yellow JAnthra Yellow GCTinon Yellow GCPPonsol Flavone GCAnthra Yellow GCNCaledon Yellow 5G
Show more names
ci67300flavongcc.i.67300Yellow GCNzlutkypova2VAY YELLOW 2anthrayellowcivatyellow2VatyellowGCN
Ahcovat Flavone GCCibanone Yellow GCHostavat Yellow GCLeucosol Yellow GCParadone Yellow GCPonsol Flavone GCDPonsol Flavone GCNAlgol Yellow 2BLT
Database identifiers
- CAS
129-09-9- PubChem CID
- 31425
- DTXSID
DTXSID1051646- UNII
- 562H14C4U9
- EC Number
- 204-931-5、926-006-1
- Nikkaji
- J8.637A
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 744
Experimental & physicochemical properties
Chemical ClassesDyes -> Anthraquinone Dyes
Physical DescriptionBrown odorless grains; [MSDSonline]
Physicochemical properties
- Boiling point
- 727.3 · 727.3±70.0 °C(Predicted)
- Density
- 1.227 · 1.2270 (rough estimate)
- refractive index
- 1.636 · 1.6360 (estimate)
- storage temp.
- Room Temperature
- solubility
- Sulfuric Acid (Slightly)
- form
- Solid
- pka
- -1.86 · -1.86±0.20(Predicted)
- color
- Very Dark Yellow to Very Dark Brown
- FDA UNII
- 562 H14C4U9 · 562H14C4U9
- EPA Substance Registry System
- 2 · C.I. Vat Yellow 2 (129-09-9)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 59.3% (16 of 27) of all reports.
Warning
H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 27 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Anthra[2,1-d:6,5-d']bisthiazole-6,12-dione, 2,8-diphenyl-
Anthra[2,1-d:6,5-d']bisthiazole-6,12-dione, 2,8-diphenyl-: 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.
Hazards SummaryAn irritant; Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and coma; Deaths have been reported after children ingested Rhamnus berries; [HSDB] A mild eye irritant, based on animal studies; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (22.2%)
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Non-Human Toxicity ExcerptsTHE TL50 (CONCN @ WHICH 50% OF ANIMALS SURVIVE) @ 15 °C FOR FATHEAD MINNOWS WAS HIGHER THAN 180 MG/L AFTER EXPOSURE TO CI VAT YELLOW 2 FOR 24, 48 AND 96 HR.
Chemistry & industry
Uses & manufacturing
Uses
Used as dye for viscose, wool, and paper; [HSDB]
Pulp and Paper Processing [Category: Industry]
DYE FOR COLORING & PRINTING OF VISCOSE, WOOL & PAPER
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) 1.46X10+7 GRAMS (PRINCPL CUSTMS DISTS)
(1981) 1.29X10+7 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
(1979) PROBABLY GREATER THAN 6.81X10+6 GRAMS
(1981) PROBABLY GREATER THAN 6.81X10+6 GRAMS
Consumption PatternsESSENTIALLY 100% AS A DYE
Methods of ManufacturingCONVERSION OF 2,6-DIBENZAMIDOANTHRAQUINONE TO THE IMINOCHLORIDE FOLLOWED BY SULFURIZATION WITH SULFUR AND NAPHTHALENE OR WITH AQUEOUS SODIUM HYDROSULFIDE
General Manufacturing Information
Anthra[2,1-d:6,5-d']bisthiazole-6,12-dione, 2,8-diphenyl-: ACTIVE
PONSOL /IS/ TRADEMARK FOR A SERIES OF VAT DYES DERIVED FROM ANTHRAQUINONE. USED FOR DYEING AND PRINTING OF COTTON AND RAYON. /PONSOL/
Applications
UsesC.I. Vat Yellow 2 is an agent of yellow dye and can also be used for the paper dyeing[1].
Preparation methods
Preparation(a) 2, 6-Diaminoanthraquinone, 1-(Trichloromethyl)benzene and sulfur in the beta backflow; (b) will be 2, 6-diamino-1, 5-dimercapto-anthraquinone and Benzaldehyde and sulfur condensation;(C) 2,6-Diamino-1,5-dichloroanthraquinone and Benzaldehydeand sulfur condensation; (d) 2,6-Dibenzamidoanthraquinoneinto the amino chloride [2, 6-bis (1-chloro-methylene) anthraquinone], then use sulphur and naphthalene hydrogenated sodium sulfide solution or sulfur. Note: the product contains 1,2,7,8-heterogeneous content.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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