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2-bromoisobutyryl Bromide

fo-5c73df72499bbacc

Identity

Type
Neutral molecule
CAS
20769-85-1
EC
244-017-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-bromoisobutyryl Bromide

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YOCIJWAHRAJQFT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
IUPAC name chemrof:IUPAC_name 2-bromoisobutyryl Bromide
Molecular formula chemrof:molecular_formula C4H6Br2O
Molecular mass chemrof:molecular_mass 229.899
Monoisotopic mass chemrof:monoisotopic_mass 227.878539
SMILES string chemrof:smiles_string CC(C)(Br)C(=O)Br

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=20769-85-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.001 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7045077 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/627F9N9DYA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.725H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/88685 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27263457 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4eea5ee0-51da-4b2d-b529-187873acbf10 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ee4874b2-4078-4c10-b400-9bd1de917b9f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c6fb1cf8-74c8-4e44-8e70-a59fac658f99 Environmental → Air → Indoor EF 3.1 kg 2
5cfd8fbb-bfd4-4619-af2d-3a8d703fb84d Environmental → Air → Long-term EF 3.1 kg 0
e1bd22da-df30-4a4d-9cc3-806fee37975c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
37f0c36c-78e9-4e59-b5b8-9e08292c6f9e Environmental → Air → Unknown EF 3.1 kg 2
659a7a7c-6786-417d-85fa-eee34f68c13d Environmental → Ground → Agricultural EF 3.1 kg 2
719a50c9-ba2c-481c-a127-c57e4d08e996 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3feb6f0b-6d16-4bf9-bdef-191bc7833525 Environmental → Ground → Unknown EF 3.1 kg 2
38c865ef-8f94-479f-8cbb-16a34c36ecab Environmental → Water → Long-term EF 3.1 kg 0
68b17512-f620-4dc1-8ed2-f8ffa02aad2a Environmental → Water → Ocean EF 3.1 kg 2
fd0a1c88-7672-4a7a-90c8-92a5adf16a63 Environmental → Water → Surface water EF 3.1 kg 2
87ae5e86-de1c-4d3d-847a-08e93a1d35e4 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-5c73df72499bbacc",
  "prefLabel": [
    {
      "@value": "2-bromoisobutyryl Bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Dibromo-2-methylpropanal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=20769-85-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Bromo-2-methylpropanoyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20769-85-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Bromo-2-methylpropionyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Bromoisobutanoyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20769-85-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Bromoisobutyric bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-2-bromopropionyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Bibb",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Bromodimethylacetyl bromide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromoisobutyryl bromide",
      "@language": "en",
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    },
    {
      "@value": "Propanoyl bromide, 2-bromo-2-methyl-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionyl bromide, 2-bromo-2-methyl-",
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        ],
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      }
    },
    {
      "@value": "α-Bromoisobutyryl bromide",
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    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "@type": [
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  ]
}

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