CAS 52184-19-7 2-Nitro-2'-hydroxy-3',5'-bis(tert-amyl)azobenzene (HCID 104111)

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Basic information

CAS: 52184-19-7
Standard SMILES: CCC(C)(C)c1cc(N=Nc2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)CC)c1
InChIKey: HHUOYYNHGMRSIF-UHFFFAOYSA-N
Molecular formula: C22H29N3O3
Average molar mass: 383.5 g/mol
Monoisotopic mass: 383.22089179

Names & identifiers

Preferred name: 2-Nitro-2'-hydroxy-3',5'-bis(tert-amyl)azobenzene
IUPAC: 2,4-bis(2-methylbutan-2-yl)-6-[(2-nitrophenyl)diazenyl]phenol
English name: 6-[(2-Nitrophenyl)azo]-2,4-di-tert-pentylphenol
Molecular formula: C22H29N3O3
Molecular weight: 383.48

Names & synonyms

EINECS 257-716-3Phenol, 2,4-bis(1,1-dimethylpropyl)-6-[(2-nitrophenyl)azo]-93OC7QAJ132-Nitro-2'-hydroxy-3',5'-bis(tert-amyl)azobenzenePhenol, 2,4-bis(1,1-dimethylpropyl)-6-((2-nitrophenyl)azo)-Phenol, 2,4-bis(1,1-dimethylpropyl)-6-(2-(2-nitrophenyl)diazenyl)-2-nitro-2'-hydroxy-3',5'-di-tert-amylazobenzene2,4-DI-TERT-AMYL-6-(2-NITROPHENYLAZO)PHENOL2-HYDROXY-2'-NITRO-3,5-DI-TERT-PENTYLAZOBENZENEPhenol, 2,4-bis(1,1-dimethylpropyl)-6-[2-(2-nitrophenyl)diazenyl]-RefChem:47714052184-19-7

Show more names

2'-Nitro-3,5-di-tert-pentylazobenzene-2-ol2-Nitro-2'-hydroxy-3',5'-di-tert-pentylazobenzene2,4-Di(1,1-dimethylpropyl)-6-(2-nitrophenylazo)phenol

2,4-Bis(tert-pentyl)-6-[(2-nitrophenyl)azo]phenol2,4-bis(2-methylbutan-2-yl)-6-[(2-nitrophenyl)diazenyl]phenol6-[(2-nitrophenyl)azo]-2,4-di-tert-pentylphenol6-((2-Nitrophenyl)azo)-2,4-di-tert-pentylphenolUNII-93OC7QAJ13SCHEMBL5184498SCHEMBL5184502DTXSID1028025

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 90.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 556

Physicochemical properties

FDA UNII: 93 OC7QAJ13 · 93OC7QAJ13
EPA Substance Registry System: 2 · Phenol, 2,4-bis(1,1-dimethylpropyl)-6-[(2-nitrophenyl)azo]- (52184-19-7)
TSCA: TSCA listed