1,3-Bis(benzoyloxy)benzene
Basic information
- CAS
94-01-9- Standard SMILES
O=C(Oc1cccc(OC(=O)c2ccccc2)c1)c1ccccc1- InChIKey
SUQGLJRNDJRARS-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- 1,3-Bis(benzoyloxy)benzene
- IUPAC
- (3-benzoyloxyphenyl) benzoate
- English name
- 1,3-Dibenzoyloxybenzene
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
1,3-Dibenzoyloxybenzene94-01-91,3-Phenylene dibenzoatem-Phenylene dibenzoate1,3-Benzenediol, dibenzoateResorcinol, dibenzoate1,3-Benzenediol, 1,3-dibenzoate1,3-Bis(benzoyloxy)benzeneTO6NXP18UZEINECS 202-294-8NSC 33405BRN 2059467
Show more names
Dibenzoylresorcinol3-Phenylene dibenzoate1,3-PHENYLENEDIBENZOATE1,3-BENZENEDIOL DIBENZOATE1,3-Dibenzoyloxybenzene,98%3-(Benzoyloxy)phenyl benzoateDibenzoic acid m-phenylene ester
AI3-00846NSC-4906NSC-33405DTXSID30883282RefChem:414018DTXCID201022825Resorcinol dibenzoate(3-benzoyloxyphenyl) benzoate
Database identifiers
- CAS
94-01-9- PubChem CID
- 66742
- DTXSID
DTXSID30883282- UNII
- TO6NXP18UZ
- EC Number
- 141-734-2、202-294-8
- Nikkaji
- J59.565I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 115 · 115-117 °C
- Boiling point
- 450 °C · 450 °C
- Density
- 1.2086 · 1.2086 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- Flash point
- 93 °C · 93°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Acetone
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 2059467 · 2059467
- InChI
- InChI=1S/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H
- InChIKey
- SUQGLJRNDJRARS-UHFFFAOYSA-N
- SMILES
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
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- rtecs
- VH0590000
- hs_code
- 29173990
- Toxicity
- LD50 ipr-mus: 8000 mg/kg JAPMA8 46,185,57
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediol, 1,3-dibenzoate: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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