Consensus flow list

Identity

Type
Neutral molecule
CAS
91-94-1
EC
202-109-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HUWXDEQWWKGHRV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
IUPAC name chemrof:IUPAC_name 3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine
Molecular formula chemrof:molecular_formula C12H10Cl2N2
Molecular mass chemrof:molecular_mass 253.132
Monoisotopic mass chemrof:monoisotopic_mass 252.0221, 252.022104
SMILES string chemrof:smiles_string Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl

Known URLs

18

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=91-94-1 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/DD802C8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82315 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.918 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0481 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020432 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=154073 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL314470 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1SDI2328UX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245999 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.926H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19225 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19225 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44314 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7070 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q222991 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3,3'-Dichlorobenzidine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e2fb52d4-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-b0ca-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f8258c16-1d45-4165-8824-a8dc56e67f05 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9d0a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b0cb-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9d09-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9d07-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b0cf-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9d08-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b0cd-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b0d0-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-b0cc-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-b0ce-0050c2490048 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-91cb1e6c8a811c55",
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  ],
  "altLabel": [
    {
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    },
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    },
    {
      "@value": "3,3′-Dichlorobenzidine",
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      "@value": "Benzidine, 3,3′-dichloro-",
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    },
    {
      "@value": "MeSH ID: D015101",
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