Basic information
- CAS
5850-87-3- Standard SMILES
Cc1cc(N=Nc2c(O)ccc3ccccc23)ccc1S(=O)(=O)[O-].Cc1cc(N=Nc2c(O)ccc3ccccc23)ccc1S(=O)(=O)[O-].[Ba+2]- InChIKey
DYYWTFWWAKPJGZ-UHFFFAOYSA-L- Molecular formula
- C34H26BaN4O8S2
- Average molar mass
- 820.1 g/mol
- Monoisotopic mass
- 820.024453
Names & identifiers
- Preferred name
- Pigment Red 51
- IUPAC
- barium(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylbenzenesulfonate)
- English name
- barium bis[4-[(2-hydroxy-1-naphthyl)azo]-2-methylbenzenesulphonate]
- Molecular formula
- C17H16BaN2O4S
- Molecular weight
- 481.71
Names & synonyms
Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-2-methyl-, barium salt (2:1)O4M4O2734MCI 15580DTXSID7064025Benzenesulfonic acid, 4-((2-hydroxy-1-naphthalenyl)azo)-2-methyl-, barium salt (2:1)Benzenesulfonic acid, 4-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-2-methyl-, barium salt (2:1)Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-2-methyl-, barium salt (2:1)RefChem:863200DTXCID0042408CI 15580 [INCI]Avival RedC.I. 14940
Show more names
Pigment Red 51Pigment Red 51:1C.I.Pigment Red 51Pigment red 51 (C.I. 15580)Bis[4-[(2-hydroxy-1-naphthalenyl)azo]-2-methylbenzenesulfonic acid]barium salt
C.I. Acid Red 22, disodium salt5850-87-3Barium bis[4-[(2-hydroxy-1-naphthyl)azo]-2-methylbenzenesulphonate]Barium bis(4-((2-hydroxy-1-naphthyl)azo)-2-methylbenzenesulphonate)EINECS 227-459-1C.I. 15580UNII-O4M4O2734MSCHEMBL29394555
Properties
Computed structural properties
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 546
Experimental & physicochemical properties
CosmeticsCosmetic colorant
Physicochemical properties
- Cosmetics Ingredients Functions
- COLORANT
- LogP
- 3.056 · 3.056 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 M4O2734M · O4M4O2734M
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-2-methyl-, barium salt (2:1) (5850-87-3)
- 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: Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-2-methyl-, barium salt (2:1)
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-2-methyl-, barium salt (2:1): Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Cosmetic colorant
General Manufacturing InformationBenzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-2-methyl-, barium salt (2:1): INACTIVE
Applications
DescriptionCI 15580 is classed chemically as a monoazo colour.
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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