4-(1,1-Dimethylethyl)-2-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]phenol
Basic information
- CAS
5517-32-8- Standard SMILES
CC(C)(C)c1ccc(O)c(N=Nc2ccc(N=Nc3ccccc3)cc2)c1- InChIKey
BWVSXJCXZQBCNI-UHFFFAOYSA-N- Molecular formula
- C22H22N4O
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.17936134
Names & identifiers
- Preferred name
- 4-(1,1-Dimethylethyl)-2-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]phenol
- IUPAC
- 4-tert-butyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
- English name
- 4-(tert-Butyl)-2-[[4-(phenylazo)phenyl]azo]phenol
- Molecular formula
- C22H22N4O
- Molecular weight
- 358.44
Names & synonyms
5517-32-84-(1,1-Dimethylethyl)-2-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)phenol4-(1,1-Dimethylethyl)-2-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]phenolRefChem:286535Phenol, 4-(1,1-dimethylethyl)-2-[[4-(phenylazo)phenyl]azo]-Phenol, 4-(1,1-dimethylethyl)-2-((4-(phenylazo)phenyl)azo)-4-tert-Butyl-2-((p-(phenylazo)phenyl)azo)phenolPhenol, p-tert-butyl-2-((p-(phenylazo)phenyl)azo)-DTXSID0063941BWVSXJCXZQBCNI-UHFFFAOYSA-NPhenol, 4-(1,1-dimethylethyl)-2-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-4-tert-Butyl-2-{[4-(phenyldiazenyl)phenyl]diazenyl}phenol
Show more names
4-(tert-Butyl)-2-[[4-(phenylazo)phenyl]azo]phenolPhenol, 4-(1,1-dimethylethyl)-2-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
Database identifiers
- CAS
5517-32-8- PubChem CID
- 79651
- DTXSID
DTXSID0063941- Nikkaji
- J421.775F
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- EPA Substance Registry System
- 4 · Phenol, 4-(1,1-dimethylethyl)-2-[[4-(phenylazo)phenyl]azo]- (5517-32-8)
- 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 InformationPhenol, 4-(1,1-dimethylethyl)-2-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-: INACTIVE
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Compound notes
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