Consensus flow list

Identity

Type
Molecular complex
CAS
119345-01-6
EC
432-130-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for Reaction Product Of 2,4-di (tert-butyl)phenol, Phosphorous Trichloride And Biphenyl

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZFUOUGCLKHYEIY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H22O.C12H10.Cl3P/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h7-9,15H,1-6H3;1-10H;
IUPAC name chemrof:IUPAC_name 1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphane, 1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphine, 1,1'-biphenyl;2,4-ditert-butylphenol;tris(chloranyl)phosphane, biphenyl;2,4-ditert-butylphenol;trichlorophosphane, biphenyl;2,4-ditert-butylphenol;trichlorophosphine
Molecular formula chemrof:molecular_formula C26H32Cl3OP
Molecular mass chemrof:molecular_mass 497.874
Monoisotopic mass chemrof:monoisotopic_mass 496.125635
SMILES string chemrof:smiles_string CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl

Known URLs

4

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=119345-01-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.039 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/159495 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72507268 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b5702ab1-45d4-40ed-acbc-3443a822834c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bcf0fbf2-d7c7-4a7e-b1ed-26c60fea032e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2733348f-b268-4d3a-a258-7a111f42a5e5 Environmental → Air → Indoor EF 3.1 kg 4
61d17773-730c-446c-a3aa-2304df7939eb Environmental → Air → Long-term EF 3.1 kg 0
f9a607fa-8b16-48c6-9125-44bcdc3d76f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
25f75bf0-c7c9-40ab-a0fe-70640b094dc5 Environmental → Air → Unknown EF 3.1 kg 4
97ad5b00-c2d5-4222-b563-74d774251583 Environmental → Ground → Agricultural EF 3.1 kg 4
28483243-e4eb-4fec-8680-179345a1beee Environmental → Ground → Non-agricultural EF 3.1 kg 4
7b2e8c07-95f3-423e-ad2d-3e5e35307976 Environmental → Ground → Unknown EF 3.1 kg 4
9b7d1d43-c00b-45f5-932a-a782aeb78d28 Environmental → Water → Long-term EF 3.1 kg 0
75934074-dc5a-4837-9df3-04d361125e02 Environmental → Water → Ocean EF 3.1 kg 4
4c5d9e85-edd1-4b14-8f18-59e10317b3bc Environmental → Water → Surface water EF 3.1 kg 4
c051eb32-5c1d-459d-94bb-554a2589464c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8fd7ca4877456516",
  "prefLabel": [
    {
      "@value": "Reaction Product Of 2,4-di (tert-butyl)phenol, Phosphorous Trichloride And Biphenyl",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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        },
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    },
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    },
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "created_from": {
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    "semantic_typing": {
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}

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