Consensus flow list

6,6'-[(3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine)

fo-375bfbf78694ff82

Identity

Type
Neutral molecule
CAS
121627-17-6
EC
700-178-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6,6'-[(3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine)

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WUFGFUAXCBPGOL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C46H44O8P2/c1-45(2,3)37-27-29(47-7)25-35(43(37)53-55-49-39-21-13-9-17-31(39)32-18-10-14-22-40(32)50-55)36-26-30(48-8)28-38(46(4,5)6)44(36)54-56-51-41-23-15-11-19-33(41)34-20-12-16-24-42(34)52-56/h9-28H,1-8H3
IUPAC name chemrof:IUPAC_name Dibenzo[d,f][1,3,2]dioxaphosphepin, 6,6′-[[3,3′-bis(1,1-dimethylethyl)-5,5′-dimethoxy[1,1′-biphenyl]-2,2′-diyl]bis(oxy)]bis-
Molecular formula chemrof:molecular_formula C46H44O8P2
Molecular mass chemrof:molecular_mass 786.798
Monoisotopic mass chemrof:monoisotopic_mass 786.251142
SMILES string chemrof:smiles_string COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1

Known URLs

7

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=121627-17-6 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60746295 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LKX6732VAP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.143.243C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10865829 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q97359533 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/BiPhePhos enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
355947e2-d91e-4f01-91b0-cbd1a86ec802 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c4d4626b-87f4-471a-8211-e11b0803c740 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d210b186-4b41-4210-bd2f-15f14983d548 Environmental → Air → Indoor EF 3.1 kg 2
81ed663f-eb80-42a8-b289-ea0c51de69c9 Environmental → Air → Long-term EF 3.1 kg 0
48436687-97f3-4621-be7a-03d3ca5ed899 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
717384fa-cf71-43de-953e-f54b90b93d02 Environmental → Air → Unknown EF 3.1 kg 2
436fc766-768d-4408-ad5d-4e8e7ebc345a Environmental → Ground → Agricultural EF 3.1 kg 2
73914b9f-1a29-466d-9ea2-26751eda88f4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
aa217246-3235-49e1-86ae-7c83bcb9e592 Environmental → Ground → Unknown EF 3.1 kg 2
8b533895-6bd0-4274-99b6-12f78760b522 Environmental → Water → Long-term EF 3.1 kg 0
cc6ab7c9-7645-405f-9d76-d82e4fd3a382 Environmental → Water → Ocean EF 3.1 kg 2
b75890e3-6f7f-4e72-b1b9-47cd31153a42 Environmental → Water → Surface water EF 3.1 kg 2
1f310cc6-021f-4525-8602-a5149c409f66 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-375bfbf78694ff82",
  "prefLabel": [
    {
      "@value": "6,6'-[(3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine)",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-Bis[(1,1′-biphenyl-2,2′-diyl)phosphite]-3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl",
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    },
    {
      "@value": "6,6′-[[3,3′-Bis(1,1-dimethylethyl)-5,5′-dimethoxy[1,1′-biphenyl]-2,2′-diyl]bis(oxy)]bis[dibenzo[d,f][1,3,2]dioxaphosphepin]",
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    },
    {
      "@value": "BIPHEPHOS",
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    {
      "@value": "Dibenzo[d,f][1,3,2]dioxaphosphepin, 6,6′-[[3,3′-bis(1,1-dimethylethyl)-5,5′-dimethoxy[1,1′-biphenyl]-2,2′-diyl]bis(oxy)]bis-",
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}

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