Basic information
- CAS
2215-89-6- Standard SMILES
O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1- InChIKey
WVDRSXGPQWNUBN-UHFFFAOYSA-N- Molecular formula
- C14H10O5
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.05282342
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,4'-Oxybis(benzoic acid)
- IUPAC
- 4-(4-carboxyphenoxy)benzoic acid
- English name
- 4,4'-Dicarboxydiphenyl Ether
- Molecular formula
- C14H10O5
- Molecular weight
- 258.23
Names & synonyms
2215-89-64,4'-Oxydibenzoic acid4,4'-Oxybis(benzoic acid)Benzoic acid, 4,4'-oxybis-NSC-39046BL4DWZ4D2RDTXSID20749004,4'-Oxybis[benzoic acid]RefChem:506874DTXCID2036619218-683-04-(4-carboxyphenoxy)benzoic acid
Show more names
ODBAOxybis(benzoic acOxybisenzoic acidOxybisbenzoic acid4,4'-OxybisbenzoicRARECHEM AL BO 0694Felbinac Impurity 6
4,4'-oxybisbenzoic acid4,4'-Dicarboxydiphenyl EtherMFCD00013988C14H10O5Diphenyl Ether 4,4'-Dicarboxylic Acid4,4 inverted exclamation marka-Oxybis(benzoic acid)4,4 inverted exclamation mark -Oxybis(benzoic acid)4,4'-Oxybis(benzoicacid)
Database identifiers
- CAS
2215-89-6- PubChem CID
- 75183
- DTXSID
DTXSID2074900- UNII
- BL4DWZ4D2R
- EC Number
- 218-683-0
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 329 °C · 329 °C
- Boiling point
- 256 · 256-259 °C
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- pka
- 3.94 · 3.94±0.10(Predicted)
- color
- White to Almost white
- BRN
- 2218315 · 2218315
- InChI
- InChI=1S/C14H10O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
- InChIKey
- WVDRSXGPQWNUBN-UHFFFAOYSA-N
- SMILES
- O(C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O
- CAS DataBase Reference
- 2215 · 2215-89-6(CAS DataBase Reference)
- FDA UNII
- 4 DWZ4D2R · BL4DWZ4D2R
- EPA Substance Registry System
- 4 · Benzoic acid, 4,4'-oxybis- (2215-89-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4,4'-oxybis-: ACTIVE
Applications
Description4,4'-Dicarboxydiphenyl Ether (DCPE) is a polymer raw material that can undergo polycondensation with terephthalic acid (TA) to produce poly(aryl ether benzimidazole) copolymers for use in high-temperature fuel cell membranes.
Uses4,4'-oxybisbenzoic acid is a monomeric liquid crystal polymer. it is used widely in the electronics and pharmaceutical industries. Preparation of whole Polyarylate thermoplastic liquid crystal polymer (TLCP), also can be used to prepare high strength, high modulus of liquid crystal fibers, specialty plastics and polymer flame retardants in industrial. also as a non-liquid crystal polymer additives, reduce baking temperature and viscosity of the polymer to facilitate processing and made of an insulating material.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
5 records
Compound notes
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