Basic information
- CAS
4399-55-7- Standard SMILES
Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5cc(S(=O)(=O)[O-])c6cccc(S(=O)(=O)[O-])c6c5)c5ccccc45)c4ccc(S(=O)(=O)[O-])cc34)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
QTTDXDAWQMDLOF-UHFFFAOYSA-J- Molecular formula
- C40H23N7Na4O13S4
- Average molar mass
- 1,029.9 g/mol
- Monoisotopic mass
- 1,028.98274492
Overview
See also: Direct Blue 71 (annotation moved to).
Names & identifiers
- Preferred name
- Direct Blue 71
- IUPAC
- tetrasodium;3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate
- English name
- 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]-6-sulpho-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,5-disulphonic acid, sodium salt
- Molecular formula
- C40H28N7NaO13S4
- Molecular weight
- 965.93
Names & synonyms
Direct Blue 714399-55-7C.I. Direct Blue 71DIRECTBLUE71MA5K8N8952Direct Blue 71 (Technical Grade)tetrasodium;3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate1,5-Naphthalenedisulfonic acid, 3-((4-((4-((6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)-1-naphthalenyl)azo)-, tetrasodium salt1,5-Naphthalenedisulfonic acid, 3-(2-(4-(2-(4-(2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-1-naphthalenyl)diazenyl)-, sodium salt (1:4)Tetrasodium 3-((4-((4-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1,5-disulphonatestarbld0009568DIRECT FAST BLUE
Show more names
3-((4-((4-((6-Amino-1-hydroxy-3-sulpho-2-naphthyl)azo)-6-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1,5-disulphonic acid, sodium salt
Properties
Computed structural properties
- Topological polar surface area
- 383 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 6
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 2,160
Physicochemical properties
- FDA UNII
- 5 K8N8952 · MA5K8N8952
- EPA Substance Registry System
- 1 · 1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, sodium salt (75627-20-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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