Triphenyl(((1r,4r)-4-((e)-prop-1-en-1-yl)cyclohexyl)methyl)phosphonium Iodide
fo-9d3b6e924bf59de5
Identity
- Type
- Chemical salt
- CAS
- 438193-30-7
- EC
- 610-150-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
2- Phosphonium, triphenyl[[trans-4-(1E)-1-propen-1-ylcyclohexyl]methyl]-, iodide (1:1)
- Phosphonium, triphenyl[[trans-4-(1E)-1-propenylcyclohexyl]methyl]-, iodide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KRIJEVHLXUMJLG-GQQZLYHYSA-M, KRIJEVHLXUMJLG-VVBCLSEWSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C28H32P.HI/c1-2-12-24-19-21-25(22-20-24)23-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28;/h2-18,24-25H,19-23H2,1H3;1H/q+1;/p-1/b12-2+;, InChI=1S/C28H32P.HI/c1-2-12-24-19-21-25(22-20-24)23-29(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28;/h2-18,24-25H,19-23H2,1H3;1H/q+1;/p-1/b12-2+;/t24-,25-; |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C/C=C/C1CCC(CC1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-] |
| IUPAC name chemrof:IUPAC_name | triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphanium iodide, triphenyl-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]phosphonium iodide |
| Molecular formula chemrof:molecular_formula | C28H32IP |
| Molecular mass chemrof:molecular_mass | 526.442 |
| Monoisotopic mass chemrof:monoisotopic_mass | 526.128636 |
| SMILES string chemrof:smiles_string | CC=CC1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.[I-] |
Known URLs
3Where 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=438193-30-7 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID401335161 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/165359911 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7302de19-46f2-4f08-bb59-584a49bdcd75 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| e4419882-11fa-4103-be15-39f632bd175d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e0844d5c-07f8-465c-ad98-0c23ebf11e05 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| efc6adf7-77c8-4a4f-8a56-d0a03a649d72 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0659ae9d-45a4-49d2-8d51-23d4ed62fbb1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| c15f69bf-2a6b-4749-a3e0-b5c6ea3aacf5 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 2ba048b2-287a-4030-95a1-e2f755a7111c | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ef13c3c9-b617-4d8b-8d84-01cefe99422b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c2ea3989-252a-456d-bb29-d0865a874314 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 93175a2c-adcf-4544-b17d-1a0eee97e8e0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 554b9da1-03d3-4ccf-9b9f-caaf6f4e29ea | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b88de31a-dfe2-4f0b-87c9-85f5cde59b64 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 1faaebfc-4409-483a-880e-aae73463d128 | 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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