Consensus flow list

Identity

Type
NeutralMolecule
CAS
74-96-4
EC
200-825-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1-bromoethane

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RDHPKYGYEGBMSE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
IUPAC name chemrof:IUPAC_name 1-bromoethane
Molecular formula chemrof:molecular_formula C2H5Br
Molecular mass chemrof:molecular_mass 108.966
Monoisotopic mass chemrof:monoisotopic_mass 107.95746, 107.957462
SMILES string chemrof:smiles_string CCBr

Known URLs

35

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
agr agr:IND44115155 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=74-96-4 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/KH62CCF8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:47232 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.751 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1378 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6092.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020199 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8824 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL156378 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LI8384T9PH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.383C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19354 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19354 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=115488 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:BBX enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6332 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1891 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12695778 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12940622 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13980246 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15922381 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16208756 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16268695 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17941615 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19141570 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20433180 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24317740 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28197565 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5772141 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5828123 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7839365 enrich_references.chebi_xrefs
reaxys reaxys:1209224 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q412245 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bromoethane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d86cd6f9-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
08a91e70-3ddc-11dd-9f4e-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
17c51abe-96e9-483e-878f-7c3ad1d0c040 Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-8fc8-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 2
08a91e70-3ddc-11dd-9f4f-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-8fc7-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-8fc5-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9f53-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-8fc6-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9f51-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9f54-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9f50-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9f52-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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  "altLabel": [
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      "@value": "2-Bromoethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "bromic ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "bromoethane",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Ethane, bromo-",
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    },
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    },
    {
      "@value": "F 160B1",
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