Basic information
- CAS
992-59-6- Standard SMILES
Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)[O-])c4ccccc4c3N)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1N.[Na+].[Na+]- InChIKey
SUXCALIDMIIJCK-UHFFFAOYSA-L- Molecular formula
- C34H26N6Na2O6S2
- Average molar mass
- 724.7 g/mol
- Monoisotopic mass
- 724.11506311
Overview
See also: Direct Red 2 (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- C.I. Direct Red 2
- IUPAC
- disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate
- English name
- Benzopurpurin 4b
- Molecular formula
- C34H29N6NaO6S2
- Molecular weight
- 704.75
Names & synonyms
992-59-6Benzopurpurine 4BBenzopurpurin 4BC.I. Direct Red 2DIRECT RED 2Diaphtamine Purpurine 4BPaper Red 4BAzamin 4BEclipse RedPurpurine 4BPurpurin 4BDiphenyl Red 4B
Show more names
Red 4BCI 23500azamin4bSULTAN 4Beriered4beclipseredpaperred4bpurpurin4bCI NO 23500cottonred4b
Hispamin Red 4BDirect Red DCBAzocard Red 4BDiazine Red 4BBenzopurpurine 4BXCotton Red 4BDiphenyl Red 4BSDirect Red 4A
Database identifiers
- CAS
992-59-6- PubChem CID
- 13816
- DTXSID
DTXSID3025203- ChEMBL
CHEMBL1471289- UNII
- G519JHX5MJ
- Nikkaji
- J7.213C
Properties
Computed structural properties
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- Melting point
- 250 °C · >250°C
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- Soluble in water, ethanol, acetone, sodium hydroxide, sulfuric acid
- form
- powder
- Colour Index
- 23500 · 23500
- color
- Brown
- PH Range
- 1.2 · 1.2(violet)-4(red)
- Water Solubility
- Soluble in water (20 mg/ml), acetone, ethanol (3 mg/ml), sodium hydroxide, and sulfuric acid.
- λmax
- 500 nm · 500nm
- Merck
- 14 · 14,1101
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- Liquid crystal displays, thin films, electronic devices, inks, lithographic printing plates, lithographic printing plates, printing and dyeing applications, textiles, lubricants, food storage, microorganism staining agent, treatment of apolipoprotein E-related diseases, antifungal agent
- InChIKey
- VRGQPCWEGKAZKK-DVDDBBOFSA-N
- SMILES
- S(C1=CC(/N=N/C2C=CC(C3C=CC(/N=N/C4C=C(S(O)(=O)=O)C5=CC=CC=C5C=4N)=C(C)C=3)=CC=2C)=C(N)C2=CC=CC=C12)(O)(=O)=O.[NaH]
Safety & regulation
Safety data
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QK1765000
- hs_code
- 29215900
- risk_code
- 45-36/37/38
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 53-45-60-37-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazardous Substances Data
- 992-59-6(Hazardous Substances Data)
Chemistry & industry
Applications
UsesBenzopurpurine 4B is a biological stain and pH indicator for pH 2.3-4.4.
UsesFor dyeing primarily cotton and viscose rayon: Colour Index vol. 2 (3rd ed., 1971) p 2101. As an analytical reagent in detection of Al, Mg, Hg, Ag, U; as a biological stain; as pH indicator, violet 1.2 to red 4.0.
General DescriptionBrown to dark red powder.
Preparation methods
Preparation3,3′-Dimethylbenzidine double nitriding, and 4-Hydroxynaphthalene-1-sulfonic acid (2 Moore) coupled.
Upstream & downstream products
Upstream raw materials
Suppliers45 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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