2-Bromo-1,1,1,2-tetrafluoroethane
fo-1e2d8c69e2a34376
Identity
- Type
- Neutral molecule
- CAS
- 124-72-1
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 52 across every transformer
Structure
Alternative labels
6- 1-Bromo-1,2,2,2-tetrafluoroethane
- Ethane, 2-bromo-1,1,1,2-tetrafluoro-
- Halon-2401
- tefluran
- Teflurane
- Ethane, 1,1,1,2-tetrafluoro-2-bromo-, Halon 2401
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RZXZIZDRFQFCTA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2HBrF4/c3-1(4)2(5,6)7/h1H |
| IUPAC name chemrof:IUPAC_name | 2-Bromo-1,1,1,2-tetrafluoroethane |
| Molecular formula chemrof:molecular_formula | C2HBrF4 |
| Molecular mass chemrof:molecular_mass | 180.926 |
| Monoisotopic mass chemrof:monoisotopic_mass | 179.919775, 179.91978 |
| SMILES string chemrof:smiles_string | FC(Br)C(F)(F)F |
Known URLs
14Where 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=124-72-1 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=30283-90-0 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134819 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10861765 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3583 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3583 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL143941 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6492U1O9V8 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.549B | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D06055 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C152540 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/31300 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q21098854 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Teflurane | enrich_references.pubchem_identifier_url |
Elementary flows
12| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 041f83f0-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 3 |
| 08a91e70-3ddc-11dd-9458-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 3 |
| 08a91e70-3ddc-11dd-9457-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 3 |
| 08a91e70-3ddc-11dd-9459-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 3 |
| 08a91e70-3ddc-11dd-9456-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 3 |
| 041f5d14-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 041f83f1-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 041f83f3-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 041f83f5-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 041f83f2-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 041f5d15-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 041f83f4-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (52 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