Biological stain Biological Stain for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 16 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Aniline Blue is the traditional name applied to anionic dyes produced by successive phenylation and sulfonation of basic fuchsine. Aniline blue consists of sulfonation products of variable mixtures of phenylated rosaniline and pararosaniline. It is a mixture of methyl blue and water blue. The dye is also known as cotton blue, and ink blue. Methyl blue of aniline blue belongs to the group of triaminotriphenylmethane dyes.
| Pubchem Sid | 504773448 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773448 |
| Canonical Smiles | CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+] |
| IUPAC Name | disodium;2-amino-3-methyl-5-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate |
| InChIKey | XOSXWYQMOYSSKB-UHFFFAOYSA-L |
| INCHI | 1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2 |
| Isomeric SMILES | CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+] |
| Alternate CAS | 8004-91-9 |
| Molecular Weight | 737.72 |
| Reaxy-Rn | 60338171 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60338171&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aminotoluenes Sulfonyls Secondary ketimines Organosulfonic acids Azomethines Secondary amines Propargyl-type 1,3-dipolar organic compounds Primary amines Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Aminotoluene - Aniline or substituted anilines - Toluene - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary ketimine - Azomethine - Ketimine - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Primary amine - Organosulfur compound - Organonitrogen compound - Imine - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2401056 | Certificate of Analysis | Nov 25, 2021 | A113197 |
| E2311037 | Certificate of Analysis | Nov 25, 2021 | A113197 |
| I2318180 | Certificate of Analysis | Nov 25, 2021 | A113197 |
| L2214722 | Certificate of Analysis | Nov 25, 2021 | A113197 |
| Molecular Weight | 737.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 737.055 Da |
| Monoisotopic Mass | 737.055 Da |
| Topological Polar Surface Area | 244.000 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1520.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
| 1. Suping Li, Jingyu Hu, Shiqi Ning, Wei Li, Ru Jiang, Jianguo Huang, Yong Li. (2023) Bacillus velezensis HY19 as a sustainable preservative in post-harvest citrus (Citrus reticulata Blanco L.) fruit management. FOOD CONTROL, [PMID:] [10.1016/j.foodcont.2023.110068] |
| 2. XingYuan Ma, JianFeng Li. (2023) Preparation of full-color carbon quantum dots with multiple emission centers. Materials Today Communications, [PMID:] [10.1016/j.mtcomm.2023.106561] |
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| 6. Yan Xuechao, Zhang Xiaoping, Li Qian. (2018) Preparation and characterization of CS/β-CD/Nano-ZnO composite porous membrane optimized by Box-Behnken for the adsorption of Congo red. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH, 25 (22): (22244-22258). [PMID:29804255] [10.1007/s11356-018-2110-3] |
| 7. Jian-Dong Cui, Ji Qing Qiu. (2012) Production of Extracellular Water-Insoluble Polysaccharide from Pseudomonas sp.. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:22533491] [10.1021/jf3006273] |
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