Basic information
- CAS
29128-95-8- Standard SMILES
O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Nc3ccccc3)n2)c2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1- InChIKey
YWERRMQUIDISQM-UHFFFAOYSA-N- Molecular formula
- C25H18ClN7O10S3
- Average molar mass
- 708.1 g/mol
- Monoisotopic mass
- 706.996581
Names & identifiers
- Preferred name
- 5-((4-Chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid
- IUPAC
- 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
- English name
- 5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
- Molecular formula
- C25H18ClN7O10S3
- Molecular weight
- 708.1
Names & synonyms
29128-95-8EINECS 249-461-15-((4-Chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acidSCHEMBL14529440SCHEMBL30065554YWERRMQUIDISQM-UHFFFAOYSA-NDTXSID201103582NS000499875-[[4-Chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acidProcion Red H-3BKayacion red A-3BC.I. Reactive rede
Show more names
5-[(4-Chloro-6-phenylamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid5-[[4-Chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 296 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,400
Physicochemical properties
- Density
- 1.846 · 1.846±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.593 · -0.593±0.40(predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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