Consensus flow list

6,6'-[[3,3',5,5'-tetrakis(1,1-dimethylethyl)-[1,1'- Biphenyl]-2,2'-diyl] Bis(oxy)]bis-dibenzo[d,f][1,3,2]-dioxaphosphepin

fo-833315faa9fb4dc6

Identity

Type
Neutral molecule
CAS
138776-88-2
EC
482-400-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 6,6'-[[3,3',5,5'-tetrakis(1,1-dimethylethyl)-[1,1'- Biphenyl]-2,2'-diyl] Bis(oxy)]bis-dibenzo[d,f][1,3,2]-dioxaphosphepin

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AQVQTKKOMSVMPM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C52H56O6P2/c1-49(2,3)33-29-39(47(41(31-33)51(7,8)9)57-59-53-43-25-17-13-21-35(43)36-22-14-18-26-44(36)54-59)40-30-34(50(4,5)6)32-42(52(10,11)12)48(40)58-60-55-45-27-19-15-23-37(45)38-24-16-20-28-46(38)56-60/h13-32H,1-12H3
IUPAC name chemrof:IUPAC_name 6,6'-[[3,3',5,5'-tetrakis(1,1-dimethylethyl)-[1,1'- Biphenyl]-2,2'-diyl] Bis(oxy)]bis-dibenzo[d,f][1,3,2]-dioxaphosphepin
Molecular formula chemrof:molecular_formula C52H56O6P2
Molecular mass chemrof:molecular_mass 838.962
Monoisotopic mass chemrof:monoisotopic_mass 838.355213
SMILES string chemrof:smiles_string CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1

Known URLs

6

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=138776-88-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.128.202 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID601010232 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.236.017E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10963933 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83006400 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3971d22f-8eb7-4064-ad3c-f2dbbafc6de0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0b6b947e-6081-481c-a80b-2ef2460aea42 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
06c91c37-aaba-43d7-aa13-3cefdbcac6e5 Environmental → Air → Indoor EF 3.1 kg 4
b7b5da4a-103e-4381-8870-ee4cfb4e0862 Environmental → Air → Long-term EF 3.1 kg 0
f2f44cdf-409a-4043-b590-491048c0a335 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b4c1df30-36b7-4d95-b2c4-84aa3d313663 Environmental → Air → Unknown EF 3.1 kg 4
74685dcf-2c0e-40d7-806e-a1900af3d832 Environmental → Ground → Agricultural EF 3.1 kg 4
6825c0ea-8b33-4e57-911d-6a9b312d942f Environmental → Ground → Non-agricultural EF 3.1 kg 4
1a05fb56-960f-43b8-859c-b3440381f3d6 Environmental → Ground → Unknown EF 3.1 kg 4
b1e05d04-02fb-4bf0-8d8d-d2951240053f Environmental → Water → Long-term EF 3.1 kg 0
802f590a-8961-41aa-8a50-144ec09ff913 Environmental → Water → Ocean EF 3.1 kg 4
61811b20-fef6-4b06-889e-69df1b2c6aff Environmental → Water → Surface water EF 3.1 kg 4
cac60e1a-71a5-42b3-95f9-38b36e14726f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-833315faa9fb4dc6",
  "prefLabel": [
    {
      "@value": "6,6'-[[3,3',5,5'-tetrakis(1,1-dimethylethyl)-[1,1'- Biphenyl]-2,2'-diyl] Bis(oxy)]bis-dibenzo[d,f][1,3,2]-dioxaphosphepin",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "6,6′-[[3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diyl]bis(oxy)]bis[dibenzo[d,f][1,3,2]dioxaphosphepin]",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibenzo[d,f][1,3,2]dioxaphosphepin, 6,6′-[[3,3′,5,5′-tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diyl]bis(oxy)]bis-",
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}

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