Consensus flow list

Identity

Type
Neutral molecule
CAS
455-14-1
EC
207-236-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-(trifluoromethyl)aniline

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ODGIMMLDVSWADK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
IUPAC name chemrof:IUPAC_name 4-(trifluoromethyl)aniline
Molecular formula chemrof:molecular_formula C7H6F3N
Molecular mass chemrof:molecular_mass 161.126
Monoisotopic mass chemrof:monoisotopic_mass 161.04523, 161.045234
SMILES string chemrof:smiles_string Nc1ccc(C(F)(F)F)cc1

Known URLs

13

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=455-14-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40750 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.579 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5060013 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10337 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1162294 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RQJ623MB8G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.714G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56392 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9964 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22882828 enrich_references.chebi_xrefs
reaxys reaxys:1564853 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27120406 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
85a2644b-337e-40dd-8f08-e6de284ed358 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d6a5746b-26c6-45b7-bb6d-197ba8ec23a6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
64282afd-7366-400b-88eb-224173a03133 Environmental → Air → Indoor EF 3.1 kg 2
1c5124ba-2fc1-452f-a8ad-6d3c58c662c5 Environmental → Air → Long-term EF 3.1 kg 0
e03b0e0d-0048-4e73-9d4c-8dbbefcd4d47 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1b34f48e-b561-4cf8-ae44-995d1fd1258d Environmental → Air → Unknown EF 3.1 kg 2
f6d4b18e-1d73-4f94-aaa9-20138e827678 Environmental → Ground → Agricultural EF 3.1 kg 2
61268ec1-1e6b-40ad-af6f-32f17021e46e Environmental → Ground → Non-agricultural EF 3.1 kg 2
3b051377-0696-47c2-8886-a03300753c11 Environmental → Ground → Unknown EF 3.1 kg 2
31b28223-154e-493d-b078-778bc6e6d8bb Environmental → Water → Long-term EF 3.1 kg 0
036a041f-c094-4a85-8438-c622c9879a77 Environmental → Water → Ocean EF 3.1 kg 2
6f751de0-171f-475a-bb88-60213ff3b2d4 Environmental → Water → Surface water EF 3.1 kg 2
ef543850-0495-4c19-b644-4b66c6c2cc34 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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