Consensus flow list

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

Structure diagram for Triphenyl(((1r,4r)-4-((e)-prop-1-en-1-yl)cyclohexyl)methyl)phosphonium Iodide

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

2

Properties

PropertyValue
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

3

Where 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)

Open the changes page

Full record

Flow object JSON
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