Basic information
- CAS
2479-49-4- Standard SMILES
O=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(C(=O)O)c(C(=O)O)c1- InChIKey
UITKHKNFVCYWNG-UHFFFAOYSA-N- Molecular formula
- C17H10O9
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.03248189
Overview
photoradicals of above cpd are active in reduction of methemoglobin
Names & identifiers
- Preferred name
- Benzophenonetetracarboxylic acid
- IUPAC
- 4-(3,4-dicarboxybenzoyl)phthalic acid
- English name
- 4,4'-Carbonyldiphthalic acid
- Molecular formula
- C17H10O9
- Molecular weight
- 358.26
Names & synonyms
2479-49-44,4'-Carbonyldiphthalic acidBENZOPHENONETETRACARBOXYLIC ACID1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-Benzophenone-3,3',4,4'-tetracarboxylic acidPCN26TOB7VDTXSID2062456RefChem:566257DTXCID0037152B-3,4-TCbenzophenone-3,3',4,4'-tetracarbonic acid219-613-1
Show more names
4,4'-Carbonylbis(phthalic acid)4'-Benzophenonetetracarboxylic acid4,4’-carbonylbis-2-benzenedicarboxylicacid3,3’,4,4’-Diphenylketonetetracarboxylicacid
3,3',4,4'-Benzophenonetetracarboxylic acid4-(3,4-dicarboxybenzoyl)phthalic acidMFCD00020283UNII-PCN26TOB7VBENZOPHENONE TETRACARBOXYLIC ACIDEINECS 219-613-13,3',4,4'-benzophenone tetracarboxylic acidSCHEMBL48886
Database identifiers
- CAS
2479-49-4- PubChem CID
- 75592
- DTXSID
DTXSID2062456- UNII
- PCN26TOB7V
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 574
Experimental & physicochemical properties
Physical DescriptionDry Powder
Physicochemical properties
- Melting point
- 224 °C · 224 °C
- Boiling point
- 734 · 734.0±60.0 °C(Predicted)
- Density
- 1.645 · 1.645±0.06 g/cm3(Predicted)
- Flash point
- 99 °C · 99 °C
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 2.43 · 2.43±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Water Solubility
- 7.2 mg/mL · Water : 7.2 mg/mL (20.10 mM)
- CAS DataBase Reference
- 2479 · 2479-49-4(CAS DataBase Reference)
- FDA UNII
- 26 TOB7V · PCN26TOB7V
- EPA Substance Registry System
- 1 · 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis- (2479-49-4)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-
1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-: ACTIVE
Applications
Uses4,4'-Carbonyldiphthalic acid is the monomer of ether type polyimide.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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