1,1,1-trifluoroethane
fo-3d0ceda534fa3abc
Identity
- Type
- Neutral molecule
- CAS
- 420-46-2
- EC
- 206-996-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
4- Ethane, 1,1,1-trifluoro-
- Freon 143a
- Methylfluoroform
- Ethane, 1,1,1-trifluoro-, HFC-143a
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | UJPMYEOUBPIPHQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H3F3/c1-2(3,4)5/h1H3 |
| IUPAC name chemrof:IUPAC_name | 1,1,1-trifluoroethane |
| Molecular formula chemrof:molecular_formula | C2H3F3 |
| Molecular mass chemrof:molecular_mass | 84.04 |
| Monoisotopic mass chemrof:monoisotopic_mass | 84.018685 |
| SMILES string chemrof:smiles_string | CC(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=27987-06-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=420-46-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.006.361 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.316 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9042047 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/84581C5PRN | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244033 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2903.44.10.20 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=3827.61.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J398K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9868 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2035 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q161267 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1,1,1-Trifluoroethane | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| eed4ce4d-519a-42a7-b07f-9abe7894d9ed | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| afd9aaad-0a62-45d6-b712-1b8e8cca2246 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 3e21a7fb-a101-4fc4-90c9-d2b6a9bcaff1 | Environmental → Air → Long-term | EF 3.1 | kg | 2 |
| ac210084-b8ae-427f-976f-5e436e3d793c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 26162114-f5b3-45b5-87c3-f0fe0ecf2bb9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 9c1eadaf-3e25-4f05-93b0-1a8ccaf8be17 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 16c1f617-3618-4aaa-a68e-42150634a6c4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 687846aa-28bf-4443-a652-e1005a3002d1 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 3fdc2354-5cbc-4084-9f0a-3a18ea94a8ba | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 28564d1c-fb2a-4894-bbcb-5209635252b8 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 0632834a-4d95-47c6-b3b5-ae97a9949fd0 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| ce39ba90e21f8824869266cc9546f61d42fe7739 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 5fe05676-b067-4460-932f-17635550af60 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-3d0ceda534fa3abc",
"prefLabel": [
{
"@value": "1,1,1-trifluoroethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Ethane, 1,1,1-trifluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:420-46-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=420-46-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Freon 143a",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:420-46-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=420-46-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methylfluoroform",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:420-46-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=420-46-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethane, 1,1,1-trifluoro-, HFC-143a",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "carry_member_names",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "source_flow_name"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H3F3"
],
"attested_by": {
"C2H3F3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UJPMYEOUBPIPHQ-UHFFFAOYSA-N"
],
"attested_by": {
"UJPMYEOUBPIPHQ-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(F)(F)F"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,1-trifluoroethane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
}
],
"attested_by": {
"CC(F)(F)F": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C2H3F3/c1-2(3,4)5/h1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,1-trifluoroethane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
}
],
"attested_by": {
"InChI=1S/C2H3F3/c1-2(3,4)5/h1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,1,1-trifluoroethane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,1-trifluoroethane"
]
},
"attested_by": {
"1,1,1-trifluoroethane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
84.04
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
}
],
"attested_by": {
"84.04": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
84.018685
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)F"
]
}
],
"attested_by": {
"84.018685": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J398K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.006.361",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.044.316",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=27987-06-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=420-46-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"420-46-2"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9042047",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/1,1,1-Trifluoroethane",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/84581C5PRN",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0244033",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://hts.usitc.gov/search?query=2903.44.10.20",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://hts.usitc.gov/search?query=3827.61.00.00",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9868",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[420-46-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2035",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q161267",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9868;CAS:420-46-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[420-46-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0632834a-4d95-47c6-b3b5-ae97a9949fd0",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"420-46-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=420-46-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=420-46-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"206-996-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=206-996-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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