Basic information
- CAS
82-18-8- Standard SMILES
O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1- InChIKey
PZNXLZZWWBSQQK-UHFFFAOYSA-N- Molecular formula
- C28H18N2O4
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.12665706
Names & identifiers
- Preferred name
- Vat Yellow 3
- IUPAC
- N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide
- English name
- 1,5-DIBENZAMIDOANTHRAQUINONE
- Molecular formula
- C28H18N2O4
- Molecular weight
- 446.45
Names & synonyms
82-18-81,5-DibenzamidoanthraquinoneVat Yellow 3Ponsol Yellow ARC.I. Vat Yellow 31,5-Bis(benzoylamino)anthraquinoneEndurol Yellow 3GPonsol Yellow ARDCibanone Yellow FGKIndanthren Yellow GKMikethrene Yellow GKNyanthrene Yellow AR
Show more names
C.I.61725C.I.Vat Yellow 3Vat yellow 3 (C.I. 61725)C.I.Vat Yellow 3:C.I.61725N,N'-1,5-anthraquinonylenebisbenzamide1,5-Bis(benzoylamino)-9,10-anthraquinoneN-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamideN-[5-(benzoylamino)-9,10-diketo-1-anthryl]benzamide
Solanthrene Yellow 3JAmanthrene Yellow A2GCarbanthrene Yellow ARRomantrene Yellow F2GKSandothrene Yellow NGKFYamada Threne Yellow GKLithosol Fast Yellow ARPBenzamide, N,N'-(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis-
Database identifiers
- CAS
82-18-8- PubChem CID
- 65738
- DTXSID
DTXSID9058864- UNII
- 17GI3L4XTO
- EC Number
- 201-401-5
- Nikkaji
- J53.450A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Experimental & physicochemical properties
Food AdditivesDevices -> FDA Regulatory Status of Color Additives
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 390 °C · 390 °C
- Boiling point
- 556.3 · 556.3±50.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.20(Predicted)
- CAS DataBase Reference
- 82 · 82-18-8
- FDA 21 CFR
- 73.3118 · 73.3118
- FDA UNII
- 17 GI3L4XTO · 17GI3L4XTO
- EPA Substance Registry System
- Benzamide, N,N'-(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis- (82-18-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzamide, N,N'-(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis-
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N,N'-(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis-: ACTIVE
Preparation methods
Preparation1,5-Diaminoanthraquinone and Benzoyl chloride (2 Moore) condensation.
Upstream & downstream products
Downstream products
Suppliers4 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…