HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 17065Generated: October 23, 2026
Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(8-hydroxy-3,6-disulfo-7-(2-(4-sulfo-1-naphthalenyl)diazenyl)-2-naphthalenyl)diazenyl)-5-methylphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:4)
Vondacel Brown SP · C.I. Direct Brown 31 · VEGENTINE FAST BROWN B · C.I.Direct Brown 31:C.I.35660 · tetrasodium 5-[[4'-[[2,6-diamino-3-[[8-hydroxy-3,6-disulphonato-7-[(4-sulphonato-1-naphthyl)azo]-2-naphthyl]azo]-5-tolyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate · 5-[[4'-[[2,6-Diamino-3-[[8-hydroxy-3,6-bis(sodiosulfo)-7-[(4-sodiosulfo-1-naphtyl)azo]-2-naphtyl]azo]-5-methylphenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoic acid sodium salt · 5-[[4'-[[2,6-Diamino-5-methyl-3-[[7-[(4-sodiosulfo-1-naphthalenyl)azo]-8-hydroxy-3,6-bis(sodiosulfo)-2-naphthalenyl]azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoic acid sodium salt · tetrasodium,(3E)-3-[[4-[4-[[2,6-diamino-3-methyl-5-[[(7Z)-8-oxo-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalen-2-yl]diazenyl]phenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
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Identifiers & Physical Properties
| CAS No. | 2429-81-4 |
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| Molecular formula | C46H30N10Na4O13S3 |
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| Average molar mass | 1,118.9 g/mol |
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| Monoisotopic mass | 1,118.07467114 g/mol |
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| SMILES | Cc1cc(N=Nc2cc3c(O)c(N=Nc4ccc(S(=O)(=O)[O-])c5ccccc45)c(S(=O)(=O)[O-])cc3cc2S(=O)(=O)[O-])c(N)c(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)[O-])c4)cc3)cc2)c1N.[Na+].[Na+].[Na+].[Na+] |
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| InChIKey | DWAUTGHCJRNULO-UHFFFAOYSA-J |
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| PubChem CID | 17065 |
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| EC No. | 219-390-0 |
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| DTXSID | DTXSID2036823 |
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Chemical & Physical Properties
| Topological polar surface area | 428 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 23 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 76 |
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| Formal charge | 0 |
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| Complexity | 2,290 |
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| FDA UNII | H1UGX66R5X |
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| EPA Substance Registry System | C.I. Direct Brown 31, tetrasodium salt (2429-81-4) |
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| GHS pictogram | GHS08,GHS07,GHS09 |
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| Signal word | Danger |
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| GHS hazard statements | H350-H410-H302 |
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| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P273-P391-P501 |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | S - indicates a substance that is identified in a final Significant New Use Rule. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA inventory status | TSCA listed |
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| Signal word | Danger |
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| GHS pictogram | GHS08,GHS07,GHS09 |
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| GHS hazard statements | H350-H410-H302 |
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| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P273-P391-P501 |
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Preparation & Synthesis
Preparation
4-(4-Aminophenyl)benzenamine double nitriding, first coupled with 2-Hydroxybenzoic acid, and then and 3-Amino-5-hydroxynaphthalene-2,7-disulfonic aciddiazo, in acid conditions and 4-Methylbenzene-1,3-diamine coupled to a product matches, then hydrolysis benzene sulfonic acid ester base, its products as coupling components again with diazo of 4-Aminonaphthalene-1-sulfonic acidmatches.