Brightway Flows 1.0
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4-bromophenyl Phenyl Ether

fo-494c6f501c85dbac

Identity

Type
Neutral molecule
CAS
101-55-3
EC
202-952-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-bromophenyl Phenyl Ether

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JDUYPUMQALQRCN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
IUPAC name chemrof:IUPAC_name 4-bromophenyl Phenyl Ether
Molecular formula chemrof:molecular_formula C12H9BrO
Molecular mass chemrof:molecular_mass 249.107
Monoisotopic mass chemrof:monoisotopic_mass 247.983677, 247.98368
SMILES string chemrof:smiles_string Brc1ccc(Oc2ccccc2)cc1

Known URLs

12

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=101-55-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77421 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.685 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8023927 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5619 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1873236 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N19SE3QCFN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.554H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7565 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
reaxys reaxys:1308972 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27146950 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
88ed409d-d640-4391-aaf0-fa9e47d2ba6f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1a6f76a4-9943-497c-bb9c-9b328e1f9563 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cc57864f-3525-45f1-bc9f-2e930f9601d5 Environmental → Air → Indoor EF 3.1 kg 2
16951197-99bb-46e3-9a1a-d7ed39dbd4c6 Environmental → Air → Long-term EF 3.1 kg 0
d0a070d7-06e0-4b62-a200-b1147bb641dc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4bbbaced-fed4-4ffd-8408-a9d197ef3766 Environmental → Air → Unknown EF 3.1 kg 2
3cf8cfa5-12a9-47c2-9c1d-e997c4ef8992 Environmental → Ground → Agricultural EF 3.1 kg 2
7f2fc376-1e48-4553-8040-be538bc04f68 Environmental → Ground → Non-agricultural EF 3.1 kg 2
36b6d2a5-9911-4dbe-acca-d3d3b3e4ab7c Environmental → Ground → Unknown EF 3.1 kg 2
064314cb-4481-4337-8602-7a4ddef67687 Environmental → Water → Long-term EF 3.1 kg 0
4abcb0a4-aed2-47f7-85ff-c1d3a95c012b Environmental → Water → Ocean EF 3.1 kg 2
16f34142-d62c-437f-886f-160930326040 Environmental → Water → Surface water EF 3.1 kg 2
e5b0ac1b-28f9-4e9c-9fa6-95b77f76409a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-494c6f501c85dbac",
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    {
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