4-[2-(4-Carboxyphenoxy)-1,2,3,3,4,4-hexafluorocyclobutyl]oxybenzoic acid
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Basic information
- CAS
134151-61-4- Standard SMILES
O=C(O)c1ccc(OC2(F)C(F)(F)C(F)(F)C2(F)Oc2ccc(C(=O)O)cc2)cc1- InChIKey
AUTFDDDGQZIXCF-UHFFFAOYSA-N- Molecular formula
- C18H10F6O6
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 436.03815701
Names & identifiers
- Preferred name
- 4-[2-(4-Carboxyphenoxy)-1,2,3,3,4,4-hexafluorocyclobutyl]oxybenzoic acid
- IUPAC
- 4-[2-(4-carboxyphenoxy)-1,2,3,3,4,4-hexafluorocyclobutyl]oxybenzoic acid
- English name
- 4,4'-[(1,2,3,3,4,4-HEXAFLUOROCYCLOBUTANE-1,2-DIYL)BIS(OXY)]DIBENZOIC ACID
- Molecular formula
- C18H10F6O6
- Molecular weight
- 436.26
Names & synonyms
134151-61-44-[2-(4-carboxyphenoxy)-1,2,3,3,4,4-hexafluorocyclobutyl]oxybenzoic acid4,4'-[(1,2,3,3,4,4-hexafluorocyclobutane-1,2-diyl)bis(oxy)]dibenzoic acid4,4'-((1,2,3,3,4,4-hexafluorocyclobutane-1,2-diyl) bis(oxy))dibenzoic acid4,4'-[(Perfluorocyclobutane-1,2-diyl)bis(oxy)]dibenzoic acid4,4'-((1,2,3,3,4,4-hexafluorocyclobutane-1,2-diyl)bis(oxy))dibenzoic acidSCHEMBL18337792AUTFDDDGQZIXCF-UHFFFAOYSA-NC18H10F6O64-[2-(4-carboxyphenoxy)-1,2,3,3,4,4-hexafluoro-cyclobutoxy]benzoic acidBenzoic acid, 4,4'-[(1,2,3,3,4,4-hexafluoro-1,2-cyclobutanediyl)bis(oxy)]bis-
Database identifiers
- CAS
134151-61-4- PubChem CID
- 2759265
- Nikkaji
- J2.750.694A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Boiling point
- 513.2 · 513.2±50.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H315-H319-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H331-H315-H319-H335
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
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Compound notes
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