Basic information
- CAS
117-32-8- Standard SMILES
Cc1cc(-c2ccc(N=Nc3c(O)ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)c(C)c2)ccc1N=Nc1ccc(O)cc1- InChIKey
PBPHWMOIKUMCRJ-UHFFFAOYSA-N- Molecular formula
- C30H24N4O8S2
- Average molar mass
- 632.7 g/mol
- Monoisotopic mass
- 632.10355608
Names & identifiers
- Preferred name
- 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4'-[2-(4-hydroxyphenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-
- IUPAC
- 7-hydroxy-8-[[4-[4-[(4-hydroxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
- English name
- 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonic acid
- Molecular formula
- C30H24N4O8S2
- Molecular weight
- 632.67
Names & synonyms
EINECS 204-182-41,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4'-((4-hydroxyphenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4'-(2-(4-hydroxyphenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4'-[2-(4-hydroxyphenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-RefChem:415373117-32-85F9AC6GE6LDTXSID0059451PBPHWMOIKUMCRJ-UHFFFAOYSA-N7-Hydroxy-8-[[4-[4-[(4-hydroxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acidNS00041286
Show more names
8-[4'-(p-Hydroxyphenylazo)-3,3'-dimethyl-4-biphenylylazo]-7-hydroxy-1,3-naphthalenedisulfonic acid7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonic acid
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,240
Physicochemical properties
- Density
- 1.511 · 1.511±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.085 · -0.085±0.40(predicted)
- EPA Substance Registry System
- 1 · 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]- (117-32-8)
- 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
Uses & manufacturing
General Manufacturing Information1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4'-[2-(4-hydroxyphenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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