Basic information
- CAS
6408-31-7- Standard SMILES
C.Cc1nn(-c2cccc(S(=O)(=O)[O-])c2)c([O-])c1N=Nc1cc(Cl)cc(S(=O)(=O)[O-])c1[O-].[Cr+3]- InChIKey
NEIQWUMFHGDFEY-UHFFFAOYSA-J- Molecular formula
- C17H13ClCrN4O8S2-
- Average molar mass
- 552.9 g/mol
- Monoisotopic mass
- 551.926838
Overview
See other relationships...
Names & identifiers
- Preferred name
- Bucolan Red GRE
- IUPAC
- 5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate;chromium(3+);methane
- English name
- Acid red 183
- Molecular formula
- C16H11ClN4Na2O8S2
- Molecular weight
- 532.84
Names & synonyms
Bucolan Red GREC.I. 188006408-31-7Chromate(2-), [5-chloro-3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo-.kappa.N1]-2-(hydroxy- .kappa.O)benzenesulfonato(4-)]hydroxy-chromic; 5-chloro-2-hydroxy-3-[(Z)-[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid; methaneRed GRECI 18800Acid red 183NEOLAN RED GRENEOLAN RED GRACID RED 183, PUREacid red 183 (C.I. 18800)
Show more names
C.I.Acid Red 183:C.I.18800Acid Red 183 Dye content 30 %chromate(2-),[5-chloro-3-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1h-pyr
Database identifiers
- CAS
6408-31-7- PubChem CID
- 457789
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- -1
- Complexity
- 850
Physicochemical properties
- Boiling point
- 764.18 ℃[at · 764.18℃[at 101 325 Pa]
- Density
- 1.84 · 1.84[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- room temp
- Colour Index
- 18800 · 18800
- form
- powder
- Water Solubility
- 903.5 μg/L · 903.5μg/L at 25℃
- λmax
- 494 nm · 494 nm
- ε(extinction coefficient)
- 2900 at · 2900 at 322nm in H2O at 0.03g/L7500 at 244nm in H2O at 0.03g/L
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- AAKJXBYQACYFJH-UHFFFAOYSA-I
- SMILES
- [Na+].[Na+].Cc1nn(-c2cccc(c2)S([O-])(=O)=O)c3O[Cr](O)Oc4c(cc(Cl)cc4S([O-])(=O)=O)\N=N\c13
- LogP
- 4.65 at · 4.65 at 25℃
- FDA UNII
- 4 LQE14571B · 4LQE14571B
- EPA Substance Registry System
- 2 · Chromate(2-), [5-chloro-3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(4-)]hydroxy-, disodium, (T-4)- (6408-31-7)
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: Chromate(2-), [5-chloro-3-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-2-hydroxybenzenesulfonato(4-)]hydroxy-, disodium
Other Safety InformationIMAP assessments - Chromate(2-), [5-chloro-3-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-2-hydroxybenzenesulfonato(4-)]hydroxy-, disodium: Human health tier I assessment
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H411
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationChromate(2-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(4-)]hydroxy-, sodium (1:2), (T-4)-: ACTIVE
Applications
Usesdiagnostic assay manufacturinghematologyhistology
Preparation methods
Preparation3-Amino-5-chloro-2-hydroxybenzenesulfonic acid diazo, and 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone coupling, and then in water solution and formic acid chromium heating, in 125 ° C keep 3 hours, make the generation of the chrome complex.
Upstream & downstream products
Upstream raw materials
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
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Compound notes
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