1-chloro-4-(trifluoromethyl)benzene
fo-53259a7aa1528d51
Identity
- Type
- Neutral molecule
- CAS
- 98-56-6
- EC
- 202-681-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
17- (p-Chlorophenyl)trifluoromethane
- 4-(Trifluoromethyl)chlorobenzene
- 4-(Trifluoromethyl)phenyl chloride
- 4-Chloro(trifluoromethyl)benzene
- 4-Chloro-1-trifluoromethylbenzene
- 4-Chloro-α,α,α-benzotrifluoride
- 4-Chloro-α,α,α-trifluorotoluene
- 4-Chlorobenzotrifluoride
- 4-Chlorobenzyltrifluoride
- 4-Trifluoromethyl-1-chlorobenzene
- Benzene, 1-chloro-4-(trifluoromethyl)-
- p-(Trifluoromethyl)chlorobenzene
- p-Chloro(trifluoromethyl)benzene
- p-Chloro-α,α,α-trifluorotoluene
- p-Chlorobenzotrifluoride
- p-Trifluoromethylphenyl chloride
- Toluene, p-chloro-α,α,α-trifluoro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | QULYNCCPRWKEMF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H |
| IUPAC name chemrof:IUPAC_name | 1-chloro-4-(trifluoromethyl)benzene |
| Molecular formula chemrof:molecular_formula | C7H4ClF3 |
| Molecular mass chemrof:molecular_mass | 180.556 |
| Monoisotopic mass chemrof:monoisotopic_mass | 179.995362 |
| SMILES string chemrof:smiles_string | FC(F)(F)c1ccc(Cl)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=98-56-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.438 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.207.883 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7024821 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10309 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797001 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/694YO34JHC | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246394 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.775F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7394 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2234 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q410670 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-Chlorobenzotrifluoride | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 33e8374e-7ea5-4ba1-8f32-bcd472aa91bd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 2e953c11-c729-43e6-ae30-dbd04c77fdd5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8402b9d3-2822-4d2d-a6cc-474d7ef0e10d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 691c23eb-61b8-43c0-ac83-61f5853c1618 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2a6626f9-605b-43fe-acf6-7a30af2dcc40 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 859ce717-3331-436b-a809-103598495b99 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 425b5977-e124-4593-8969-713a0ffb68e9 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ad488454-dfa1-428b-bc86-ea0030c1684e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b6e2248f-ce0a-4ce3-9c87-b6921cb17cdd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 560fd19f-f8ca-4fb1-9954-efbff14ef650 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a84bb21f-393c-4f54-bf4c-b6a976d07577 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| dd02d870-7cbd-4087-ba74-2ea2c39aa6ba | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4250a86a-56f4-4d87-9c52-008fd4edf3c1 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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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