Basic information
- CAS
18472-87-2- Standard SMILES
O=C1OC2(c3cc(Br)c([O-])c(Br)c3Oc3c2cc(Br)c([O-])c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.[Na+].[Na+]- InChIKey
OOYIOIOOWUGAHD-UHFFFAOYSA-L- Molecular formula
- C20H2Br4Cl4Na2O5
- Average molar mass
- 829.6 g/mol
- Monoisotopic mass
- 823.51852
Names & identifiers
- Preferred name
- Acid Red 92
- IUPAC
- disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
- English name
- Acid Red 92
- Molecular formula
- C20H5Br4Cl4NaO5
- Molecular weight
- 809.66
Names & synonyms
Show more names
Database identifiers
- CAS
18472-87-2- PubChem CID
- 6433718
- DTXSID
DTXSID1031090- Nikkaji
- J4.465B
Properties
Computed structural properties
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 780
Experimental & physicochemical properties
Physical Description
Liquid; Wet Solid; Other Solid
Brick red to brown solid; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 250 °C · >250°C
- Density
- 0.871 · 0.871[at 20℃]
- bulk density
- 650 kg/m3 · 650kg/m3
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Store at RT.
- solubility
- 100 g/l · 100g/l
- form
- Powder/Solid
- Colour Index
- 45410 · 45410
- color
- Red Brown
- PH Range
- NonQ uorescence (2.5) to yellowish-blue Q uorescence (4.0)
- PH
- 9.7 · 9.7 (1g/l, H2O, 20℃)
- Water Solubility
- 1 mg/mL, · water: 1mg/mL, clear, red
- λmax
- 548 nm, · 548nm, 510nm
- BRN
- 3887100 · 3887100
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Biological Applications
- Detecting proteins; treating microbial infection,parasitic infection,skin,mouth,digestive tract,urinary tract,reproductive tract,respiratory tract,circulatory system,head,neck,endocrine system
- Major Application
- Optical waveguides, color filter, lithographic printing plates, display device, visualization of dentaldevice, inks, highlighters, textiles, hair dyes, cosmetics, visualization of dentalplaque, treatment of infectitious diseases, antitumor agents
- Cosmetics Ingredients Functions
- COLORANTHAIR DYEING
- InChI
- 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2
- InChIKey
- OOYIOIOOWUGAHD-UHFFFAOYSA-L
- SMILES
- [Na+].[Na+].[O-]c1c(Br)cc2c(Oc3c(Br)c([O-])c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br
- LogP
- 0.165 at · 0.165 at 25℃
- CAS DataBase Reference
- 18472 · 18472-87-2(CAS DataBase Reference)
- FDA 21 CFR
- 74.1328 · 74.1328; 74.2328; 82.1328
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 767 IP0Y5NH · 767IP0Y5NH
- EPA Substance Registry System
- Phloxine B (18472-87-2)
- UNSPSC Code
- 41116130 · 41116130
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 402 · H402
- Precautionary statements
- 273 · P273-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 22 · 22-24/25-37/39-26
- WGK Germany
- 2 · 2
- RTECS
- 5900000 · LM5900000
- TSCA
- TSCA listed
- HS Code
- 32041200 · 32041200
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 50 orally · LD50 orally in Rabbit: 2870 mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.3% (17 of 234) of reports.
Warning
H319 (56.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H373 (31.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H412 (38%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P264+P265, P273, P280, P305+P351+P338, P319, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 234 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 17 of 234 reports by companies.;There are 8 notifications provided by 217 of 234 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium salt
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) 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)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17402
Acid Red 92: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes no skin and mild to moderate eye irritation in rabbits; Not a skin sensitizer in a local lymph node assay (LLNA) of mice; Mild maternal toxicity but no embryotoxicity or teratogenicity observed in rats at 250 mg/kg/day; [SCCS (Scientific Committee on Consumer Safety), Opinion on Acid Red 92, 27 March 2012] May cause irritation; [Sigma-Aldrich MSDS] See Rose Bengal.
Regulatory information
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium salt
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) 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)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17402
Acid Red 92: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LM5900000
- hs_code
- 32041200
- Toxicity
- LD50 orally in Rabbit: 2870 mg/kg
- risk_code
- 36
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H402
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
Uses
Used as a histological and bacterial stain, and colorant for cosmetics, drugs, inks, lacquers, wool, nylon, jute, leather, silk, and acid dyeable acrylics; [Merck Index] Used in hair dye formulations; [SCCS (Scientific Committee on Consumer Safety), Opinion on Acid Red 92, 27 March 2012] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Painting (Pigments, Binders, and Biocides) [Category: Paint];Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [Category: Industry];Dressing Hair [Category: Other]
Applications
UsesPhloxine B acts as the sensitizers of dye-sensitized solar cells. Also, it is a fluorescein photoactive dye. Dyes and metabolites, Environmental Testing.
Preparation methods
Preparationthe Resorcinol and 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione condensation, get 3,4,5,6-Tetrachlorophthalic acid four bromination, and translated into sodium salt.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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