Basic information
- CAS
103-18-4- Standard SMILES
Nc1ccc(N=Nc2ccc(O)cc2)cc1- InChIKey
NCKPQOUTAMSEAO-UHFFFAOYSA-N- Molecular formula
- C12H11N3O
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.09021198
Names & identifiers
- Preferred name
- 4-Amino-4'-hydroxyazobenzene
- IUPAC
- 4-[(4-aminophenyl)diazenyl]phenol
- English name
- 4-[(4-aminophenyl)azo]phenol
- Molecular formula
- C12H11N3O
- Molecular weight
- 213.24
Names & synonyms
103-18-44-Amino-4'-hydroxyazobenzeneRefChem:1986124-[(4-aminophenyl)azo]phenolPhenol, 4-[(4-aminophenyl)azo]-Phenol, p-((p-aminophenyl)azo)-4-((4-Aminophenyl)azo)phenolAzobenzene, 4-amino-4'-hydroxy-p-((p-Aminophenyl)azo)phenol4-[(4-aminophenyl)diazenyl]phenolPhenol, 4-((4-aminophenyl)azo)-4'-HYDROXY-4-AMINOAZOBENZENE
Show more names
4'-Aminoazobenzene-4-ol4'-Hydroxyazobenzene-4-amine4-(4-Hydroxyphenylazo)anilinePhenol, 4-[2-(4-aminophenyl)diazenyl]-
4-[(4-aminophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one4-((4-Aminophenyl)diazenyl)phenolMFCD01707824p-[(p-Aminophenyl)azo]phenol56EH61562QNSC-127114Phenol, 4-(2-(4-aminophenyl)diazenyl)-Phenol, p-[(p-aminophenyl)azo]-
Database identifiers
- CAS
103-18-4、81944-72-1- PubChem CID
- 7640
- DTXSID
DTXSID7059270- UNII
- 56EH61562Q
- EC Number
- 203-085-4
- Nikkaji
- J50.085B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
Chemical ClassesDyes -> Azo Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.00000054 [mmHg]
Physicochemical properties
- Melting point
- 185 · 185-190 °C (decomp)(Solv: ethyl acetate (141-78-6))
- Boiling point
- 353.22 °C · 353.22°C (rough estimate)
- Density
- 1.1594 · 1.1594 (rough estimate)
- refractive index
- 1.634 · 1.6340 (estimate)
- pka
- 8.85 · 8.85±0.15(Predicted)
- FDA UNII
- 56 EH61562Q · 56EH61562Q
- EPA Substance Registry System
- 4 · Phenol, 4-[(4-aminophenyl)azo]- (103-18-4)
- TSCA
- TSCA listed
- Hazardous Substances Data
- 103 · 103-18-4(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryCauses sleep in lethal-dose feeding studies of rats; [RTECS] Emergency treatment: Methemoglobinemia; [HSDB]
Safety & protection
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts4'-HYDROXY-4-AMINOAZOBENZENE WAS NOT AS ACTIVE IN INITIATING METHEMOGLOBIN FORMATION IN RATS AS N-HYDROXY-4-AMINOAZOBENZENE.
Safety data
- tsca
- TSCA listed
- Hazardous Substances Data
- 103-18-4(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesYIELDS 4'-AMINOAZOBENZEN-4-YL-BETA-D-GLUCURONIDE, 4'-AMINOAZOBENZEN-4-YL SULFATE IN RAT. /FROM TABLE/
Uses & manufacturing
General Manufacturing InformationPhenol, 4-[2-(4-aminophenyl)diazenyl]-: INACTIVE
Suppliers6 total
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
Related reactions
1 records
Compound notes
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