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Phenol, 4-(2-(4-(2-(3-nitrophenyl)diazenyl)phenyl)diazenyl)-

HCID 109733
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Basic information

CAS
68201-77-4
Standard SMILES
O=[N+]([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(O)cc3)cc2)c1
InChIKey
HFFLNPOQMNVCOC-UHFFFAOYSA-N
Molecular formula
C18H13N5O3
Average molar mass
347.3 g/mol
Monoisotopic mass
347.10183929

Names & identifiers

Preferred name
Phenol, 4-(2-(4-(2-(3-nitrophenyl)diazenyl)phenyl)diazenyl)-
IUPAC
4-[[4-[(3-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
English name
p-[[p-[(m-nitrophenyl)azo]phenyl]azo]phenol
Molecular formula
C18H13N5O3
Molecular weight
347.33

Names & synonyms

EINECS 269-237-7Phenol, 4-[[4-[(3-nitrophenyl)azo]phenyl]azo]-4-((4-((3-Nitrophenyl)azo)phenyl)azo)phenolPhenol, 4-((4-((3-nitrophenyl)azo)phenyl)azo)-Phenol, 4-(2-(4-(2-(3-nitrophenyl)diazenyl)phenyl)diazenyl)-Phenol, 4-[2-[4-[2-(3-nitrophenyl)diazenyl]phenyl]diazenyl]-RefChem:86121168201-77-4P-[[P-[(M-NITROPHENYL)AZO]PHENYL]AZO]PHENOLp-((p-((m-Nitrophenyl)azo)phenyl)azo)phenol2KQ39F2Z6ADTXSID7071234
Show more names
4-[[4-[(3-Nitrophenyl)azo]phenyl]azo]phenol
HFFLNPOQMNVCOC-UHFFFAOYSA-N4-[[4-[(3-nitrophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-oneNS000364764-({4-[(3-Nitrophenyl)diazenyl]phenyl}diazenyl)phenol4-[2-[4-[2-(3-Nitrophenyl)diazenyl]phenyl]diazenyl]phenol

Database identifiers

CAS
68201-77-4
PubChem CID
109733
DTXSID
DTXSID7071234
UNII
2KQ39F2Z6A
EC Number
269-237-7
Nikkaji
J317.402F

Properties

Computed structural propertiesFilling in

XLogP
4.9
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
505

Physicochemical properties

EPA Substance Registry System
4 · Phenol, 4-[[4-[(3-nitrophenyl)azo]phenyl]azo]- (68201-77-4)
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-[2-[4-[2-(3-nitrophenyl)diazenyl]phenyl]diazenyl]-: INACTIVE

Related reactions

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Compound notes

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