Basic information
- CAS
16893-49-5- Standard SMILES
Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4S(=O)(=O)O)c(O)c23)n1- InChIKey
NURBNRFNNUIGIY-UHFFFAOYSA-N- Molecular formula
- C19H14ClN7O10S3
- Average molar mass
- 632 g/mol
- Monoisotopic mass
- 630.9652809
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-
- IUPAC
- 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
- English name
- 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
- Molecular formula
- C19H14ClN7O10S3
- Molecular weight
- 632
Names & synonyms
2,7-Naphthalenedisulfonic acid, 5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-2,7-Naphthalenedisulfonic acid, 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-2,7-Naphthalenedisulfonic acid, 5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-2,7-Naphthalenedisulfonic acid, 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-RefChem:44629916893-49-55-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acidCibacron Brill Red B-AEINECS 240-933-2BRILL RED BCibacron Brilliant Red BDTXSID4066129
Show more names
Reactive Red 12Cibacron Brilliant Red 8B5-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)-amino]-4-hydroxy-3-[(2-sulfophenyl5-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 310 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,260
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]- (16893-49-5)
- TSCA
- TSCA listed
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: 2,7-Naphthalenedisulfonic acid, 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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