Basic information
- CAS
1965-09-9- Standard SMILES
Oc1ccc(Oc2ccc(O)cc2)cc1- InChIKey
NZGQHKSLKRFZFL-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- 4,4'-Dihydroxydiphenyl ether
- IUPAC
- 4-(4-hydroxyphenoxy)phenol
- English name
- 4,4'-Oxydiphenol
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
4,4'-Oxydiphenol4,4'-Dihydroxydiphenyl ether1965-09-9Phenol, 4,4'-oxybis-4-(4-hydroxyphenoxy)phenolEINECS 217-809-14,4'-oxybiphenolBRN 18753204,4'-Oxybisphenol7L83KGH26S4,4'-oxybis(phenol)UNII-7L83KGH26S
Show more names
p,p'-Oxydiphenolp,p’-oxydiphenol4',4-OXIDIPHENOL4,4'-Oxydiphenyl4',4-OXYDIPHENOL4,4’-oxydi-phenop,p'-oxybisphenol
PHENOL, P,P'-OXYDI-PHENOL, P,P'-OXYBIS-DTXSID80221694,4'-Oxybis[phenol]3-06-00-04408 (Beilstein Handbook Reference)RefChem:96259DTXCID802169217-809-1
Database identifiers
- CAS
1965-09-9- PubChem CID
- 16069
- DTXSID
DTXSID8022169- ChEMBL
CHEMBL147060- UNII
- 7L83KGH26S
- EC Number
- 217-809-1
- Nikkaji
- J47.623D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 163 · 163-168 °C
- Boiling point
- 300.32 °C · 300.32°C (rough estimate)
- Density
- 1.1868 · 1.1868 (rough estimate)
- refractive index
- 1.543 · 1.5430 (estimate)
- storage temp.
- Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Amorphous Powder
- pka
- 9.9 · 9.90±0.15(Predicted)
- color
- Off-white
- InChI
- InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
- InChIKey
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- tsca
- TSCA listed
- rtecs
- SM6040000
- hs_code
- 29095000
- Toxicity
- LD50 ipr-mus: 150 mg/kg NTIS** AD691-490
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationPhenol, 4,4'-oxybis-: ACTIVE
Applications
Uses4,4'-Oxydiphenol can be used as a pharmaceutical intermediates.
Upstream & downstream products
Upstream raw materials
Related reactions
22 records
Compound notes
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