Benzene-1,2,4,5-tetracarboxylic Acid, Compound With 4,5-dihydro-2-phenyl-1h-imidazole (1:2)
fo-489fe5ee62903539
Identity
- Type
- Molecular complex
- CAS
- 54553-91-2
- EC
- 259-226-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
4- 1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,5-dihydro-2-phenyl-1H-imidazole (1:2)
- 1H-Imidazole, 4,5-dihydro-2-phenyl-, 1,2,4,5-benzenetetracarboxylate (2:1)
- 2-Phenyl-2-imidazoline pyromellitate(2:1)
- Vestagon B 55
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XSMMIZPIWZYHNL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H6O8.2C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;2*1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1-5H,6-7H2,(H,10,11) |
| IUPAC name chemrof:IUPAC_name | Benzene-1,2,4,5-tetracarboxylic Acid, Compound With 4,5-dihydro-2-phenyl-1h-imidazole (1:2) |
| Molecular formula chemrof:molecular_formula | C28H26N4O8 |
| Molecular mass chemrof:molecular_mass | 546.536 |
| Monoisotopic mass chemrof:monoisotopic_mass | 546.175064 |
| SMILES string chemrof:smiles_string | O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1 |
Known URLs
6Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=54553-91-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.053.823 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3068964 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FPE2N9WHD6 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/162752 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72505024 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9fc7a968-c004-4315-8fe6-8d44dbcc11a5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 191a741d-2c22-4bca-b722-bd8369eb4c19 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| cb1b72fb-5261-45ef-9674-1919f1c6b8cc | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 15b1a14b-8a59-49a0-bee4-a8427c883282 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9a09940b-298a-4d62-afb9-46ab7e1070b4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 88d4e1f4-4adb-47e4-9c91-85f64f702880 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 6913f269-d50b-4d91-a13a-c0d037defb7b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 6302718e-79e6-4340-82d6-d5a5374e7fdb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| beaaaa7b-c8c1-413f-a1d8-acb20dcec60f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| f1d07621-39f1-4931-8d60-f0e22464b7ab | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| acf2b00c-75a1-431d-aa2e-2ef413034f82 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 7dfd077d-7b2a-4aee-bdb8-f47a7c2f1af3 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 21790583-da26-4ea1-b69a-c85dbbbc2ac1 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works