Phenol, 4,4'-iminobis-
Basic information
- CAS
1752-24-5- Standard SMILES
Oc1ccc(Nc2ccc(O)cc2)cc1- InChIKey
YRUPBAWWCPVHFT-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- Phenol, 4,4'-iminobis-
- IUPAC
- 4-(4-hydroxyanilino)phenol
- English name
- 4,4'-iminodiphenol
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
4,4'-IminodiphenolPhenol, 4,4'-iminobis-LeucoindophenolBis(p-hydroxyphenyl)amine4,4'-Iminobisphenol4,4'-DihydroxydiphenylamineBis(4-hydroxyphenyl)aminePhenol, 4,4'-iminodi-GT5H6Q4HYAEINECS 217-136-3BRN 2104633UNII-GT5H6Q4HYA
Show more names
-Iminodiphenol4'-IminodiphenolParacetamol Impurity M4,4 '- Azadiyldiphenol4,4'-AzanediyldiphenolAcetaminophen Impurity M
4,4-AZANEDIYLDIPHENOLDTXSID60619454-13-00-01064 (Beilstein Handbook Reference)PARACETAMOL IMPURITY M [EP IMPURITY]PARACETAMOL IMPURITY M (EP IMPURITY)RefChem:172787DTXCID6035574YRUPBAWWCPVHFT-UHFFFAOYSA-N
Database identifiers
- CAS
1752-24-5- PubChem CID
- 74461
- DTXSID
DTXSID6061945- ChEMBL
CHEMBL470673- UNII
- GT5H6Q4HYA
- EC Number
- 217-136-3
- Nikkaji
- J7.767D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 169 °C · 169 °C
- Boiling point
- 339.14 °C · 339.14°C (rough estimate)
- Density
- 1.1574 · 1.1574 (rough estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.55 · 10.55±0.26(Predicted)
- form
- Solid
- color
- Very Dark Brown to Black
- Stability
- Air Sensitive, Hygroscopic
- FDA UNII
- 5 H6Q4HYA · GT5H6Q4HYA
- EPA Substance Registry System
- 4 · Phenol, 4,4'-iminobis- (1752-24-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-iminobis-: INACTIVE
Applications
Description4,4'-iminodiphenol is an inactive estrogen receptor ligand based on the diphenylamine skeleton.
Uses4,4''-Iminodiphenol is derived from 4,4''-Dimethoxydiphenylamine (D461065), which is a diphenylamine derivative used as a chemical additive for cured rubber. 4,4''-Dimethoxydiphenylamine is highly toxic and may potentially induce chromosome abberation.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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