4-(trifluoromethyl)aniline
fo-3d9b8d19316d6f62
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
Alternative labels
12- (4-(Trifluoromethyl)phenyl)amine
- 1-Amino-4-(trifluoromethyl)benzene
- 4-(Trifluoromethyl)benzenamine
- 4-Amino-α,α,α-benzotrifluoride
- 4-Aminobenzotrifluoride
- Benzenamine, 4-(trifluoromethyl)-
- p-(trifluoromethyl)aniline
- p-Amino-α,α,α-trifluorotoluene
- p-Aminobenzotrifluoride
- p-Toluidine, α,α,α-trifluoro-
- p-Trifluoromethylphenylamine
- α,α,α-Trifluoro-p-toluidine
Properties
| Property | Value |
|---|---|
| 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
13Where 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 | 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)
Full record
Flow object JSON
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},
{
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"@value": "A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.",
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works