Consensus flow list

Isopropyl 2-bromoisobutyrate

fo-6ca1cb84596c3e86

Identity

Type
Neutral molecule
CAS
51368-55-9
EC
257-158-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Isopropyl 2-bromoisobutyrate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UNZJYKKJZGIFCG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3
IUPAC name chemrof:IUPAC_name Isopropyl 2-bromoisobutyrate
Molecular formula chemrof:molecular_formula C7H13BrO2
Molecular mass chemrof:molecular_mass 209.083
Monoisotopic mass chemrof:monoisotopic_mass 208.009892
SMILES string chemrof:smiles_string CC(C)OC(=O)C(C)(C)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=51368-55-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.944 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80199380 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9HPK4A7GQQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.700E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2796293 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72485793 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
079d5d94-34a4-49da-9a91-d74ee04729d6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
069d3a4f-da67-4574-9272-5347f2a514ce Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6ebb248e-546f-4b9c-90e7-911409813e28 Environmental → Air → Indoor EF 3.1 kg 2
5d282037-7e87-4eae-ac98-f2a209740129 Environmental → Air → Long-term EF 3.1 kg 0
d6152e36-74b7-4c0b-a374-1867c14afabf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
824edae0-508c-44c2-9e17-63084f54d065 Environmental → Air → Unknown EF 3.1 kg 2
fad6758f-3f89-454f-8a90-69cc5f31067e Environmental → Ground → Agricultural EF 3.1 kg 2
35363ee6-ef40-416b-bafb-5e421195b388 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6028db88-e2f6-47dc-8706-a22c8f87d1f3 Environmental → Ground → Unknown EF 3.1 kg 2
d60acb63-5a28-4596-b613-65ac06f5e326 Environmental → Water → Long-term EF 3.1 kg 0
bc3a35cd-886e-439a-829d-b69ee5bb4afe Environmental → Water → Ocean EF 3.1 kg 2
ce038dab-d04d-43ba-b7f8-151087112f9b Environmental → Water → Surface water EF 3.1 kg 2
dab62ee2-5406-4d03-8777-365638c05fa6 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-6ca1cb84596c3e86",
  "prefLabel": [
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      "@value": "Isopropyl 2-bromoisobutyrate",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-Methylethyl 2-bromo-2-methylpropanoate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Bromo-2-methylpropanoic acid isopropyl ester",
      "@language": "en",
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    },
    {
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    },
    {
      "@value": "Isopropyl α-bromoisobutyrate",
      "@language": "en",
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    },
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    },
    {
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}

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