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Pentabromobenzyl Acrylate

fo-b74674d19539915a

Identity

Type
Neutral molecule
CAS
59447-55-1
EC
261-767-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Pentabromobenzyl Acrylate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GRKDVZMVHOLESV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
IUPAC name chemrof:IUPAC_name Pentabromobenzyl Acrylate
Molecular formula chemrof:molecular_formula C10H5Br5O2
Molecular mass chemrof:molecular_mass 556.668
Monoisotopic mass chemrof:monoisotopic_mass 551.62064
SMILES string chemrof:smiles_string C=CC(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br

Known URLs

8

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=59447-55-1 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=59447-57-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.056.134 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9052719 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K55L5VE7PP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J298.162I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101059 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81985171 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c004fc19-558c-4073-ab08-3994845c4a9d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f40ef622-dd5d-4158-a0ac-f7976fe6359d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c495ad6e-b418-4680-8bcd-e675b44a268e Environmental → Air → Indoor EF 3.1 kg 4
1ec76455-dbe3-4b2b-bb11-833c9a608e2e Environmental → Air → Long-term EF 3.1 kg 0
d3f46447-a9fe-44b9-9177-cc3b178e172d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8953f76c-0c4d-4625-86e3-3f33f3487327 Environmental → Air → Unknown EF 3.1 kg 4
ee5bcfd8-b61f-472d-985f-e47d019c25a0 Environmental → Ground → Agricultural EF 3.1 kg 4
eb88bccc-5093-4a94-9b1b-9efbbb23f700 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5167b3e1-4e79-4b5e-8931-cd7193ec78aa Environmental → Ground → Unknown EF 3.1 kg 4
2fc49a7e-810b-41a3-a7ab-2a5d1d459dca Environmental → Water → Long-term EF 3.1 kg 0
2b725b50-ccd8-4e9f-a729-cc78ebdb985c Environmental → Water → Ocean EF 3.1 kg 4
1f8acc5f-2fbe-4ed3-b167-b65887a6f8a7 Environmental → Water → Surface water EF 3.1 kg 4
5a1a96fb-853b-4017-8553-7f9e173b589c 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-b74674d19539915a",
  "prefLabel": [
    {
      "@value": "Pentabromobenzyl Acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3,4,5,6-Pentabromobenzyl acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59447-55-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59447-55-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:59447-55-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59447-55-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, (pentabromophenyl)methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=59447-55-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Actimer FR 1025M",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PBBA",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  "properties": {
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      "@value": [
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      ],
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        ]
      },
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      "rdfs:label": "InChIKey",
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      ],
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          ]
        }
      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      ],
      "provenance": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ]
      },
      "attested_by": {
        "Pentabromobenzyl Acrylate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CC(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br"
          ]
        }
      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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    },
    {
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  "created_from": {
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  "classifications": {
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  "origin_qualifier": null,
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  "@type": [
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  ]
}

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