2,7-Naphthalenedisulfonic acid, 3-[2-[4-(phenylamino)-1-naphthalenyl]diazenyl]-
Basic information
- CAS
57322-42-6- Standard SMILES
O=S(=O)(O)c1ccc2cc(N=Nc3ccc(Nc4ccccc4)c4ccccc34)c(S(=O)(=O)O)cc2c1- InChIKey
BGHIEJHQLIHWPX-UHFFFAOYSA-N- Molecular formula
- C26H19N3O6S2
- Average molar mass
- 533.6 g/mol
- Monoisotopic mass
- 533.07152768
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 3-[2-[4-(phenylamino)-1-naphthalenyl]diazenyl]-
- IUPAC
- 3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
- English name
- 3-(4-Anilino-1-naphthylazo)-2,7-naphthalenedisulfonic acid
- Molecular formula
- C26H19N3O6S2
- Molecular weight
- 533.58
Names & synonyms
2,7-Naphthalenedisulfonic acid, 3-[2-[4-(phenylamino)-1-naphthalenyl]diazenyl]-DTXSID408862242,7-Naphthalenedisulfonic acid, 3-((4-(phenylamino)-1-naphthalenyl)azo)-2,7-Naphthalenedisulfonic acid, 3-[[4-(phenylamino)-1-naphthalenyl]azo]-2,7-Naphthalenedisulfonic acid, 3-(2-(4-(phenylamino)-1-naphthalenyl)diazenyl)-RefChem:446048DTXCID50102556157322-42-6Alphamine Red R Base3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acidALPHAMINE RED R3-(4-ANILINO-1-NAPHTHYLAZO)-2,7-NAPHTHALENEDISULFONICACID
Show more names
Alphamine Red R Base >3,6-DISULFO-2-NAPHTHYLAZO-N-PHENYL-1-NAPHTHYLAMINE3-(4-Anilino-1-naphtylazo)-2,7-naphthalenedisulfonic acid3-(4-Anilino-1-naphthylazo)-2,7-naphthalenedisulfonic acid
(E)-3-((4-(phenylamino)naphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonic acidSCHEMBL10895951SCHEMBL11023606SCHEMBL40556081BGHIEJHQLIHWPX-UHFFFAOYSA-NC26H19N3O6S2MFCD00135326AKOS030228043
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- form
- powder to crystal
- color
- Orange to Amber to Dark red
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 3-[[4-(phenylamino)-1-naphthalenyl]azo]- (57322-42-6)
- TSCA
- TSCA listed
- HS Code
- 3204.13 · 3204.13.2000
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
- hs_code
- 3204.13.2000
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3-[2-[4-(phenylamino)-1-naphthalenyl]diazenyl]-: INACTIVE
Applications
UsesAlphamine Red R Base (CAS# 57322-42-6) is an organic azo dye used as an indicator and reagent for thyroxine and triiodothyronine radioimmunoassays in blood serum.
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Compound notes
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