1,1,1,3,3,3-Hexachloro-2,2-difluoropropane
fo-185db6f3b4d33711
Identity
- Type
- Neutral molecule
- CAS
- 3182-26-1
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 50 across every transformer
Structure
Alternative labels
4- 1,1,1,3,3,3-Hexachlorodifluoropropane
- CFC-212
- Propane, 1,1,1,3,3,3-hexachloro-2,2-difluoro-
- Propane, hexachlorodifluoro-, CFC-212
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YXVCODVAPNKSMC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3Cl6F2/c4-2(5,6)1(10,11)3(7,8)9 |
| IUPAC name chemrof:IUPAC_name | 1,1,1,3,3,3-Hexachloro-2,2-difluoropropane |
| Molecular formula chemrof:molecular_formula | C3Cl6F2 |
| Molecular mass chemrof:molecular_mass | 286.747 |
| Monoisotopic mass chemrof:monoisotopic_mass | 283.809923 |
| SMILES string chemrof:smiles_string | FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
Known URLs
5Where 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=3182-26-1 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2074322 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.464C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/76650 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82002707 | enrich_references.pubchem_identifier_url |
Elementary flows
12| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1f317279-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9866-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-ab30-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9867-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-ab2f-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 1f317277-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 1f31727a-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 1f31727c-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 1f31727e-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1f31727b-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 1f317278-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 1f31727d-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (50 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-185db6f3b4d33711",
"prefLabel": [
{
"@value": "1,1,1,3,3,3-Hexachloro-2,2-difluoropropane",
"@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": "1,1,1,3,3,3-Hexachlorodifluoropropane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3182-26-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3182-26-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "CFC-212",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "manual_fixes",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "name the fix replaced, retained as altLabel"
}
},
{
"@value": "Propane, 1,1,1,3,3,3-hexachloro-2,2-difluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3182-26-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3182-26-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propane, hexachlorodifluoro-, CFC-212",
"@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": [
"C3Cl6F2"
],
"attested_by": {
"C3Cl6F2": [
"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:76650"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"YXVCODVAPNKSMC-UHFFFAOYSA-N"
],
"attested_by": {
"YXVCODVAPNKSMC-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:76650"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,1,3,3,3-Hexachloro-2,2-difluoropropane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C3Cl6F2/c4-2(5,6)1(10,11)3(7,8)9"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,1,3,3,3-Hexachloro-2,2-difluoropropane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"InChI=1S/C3Cl6F2/c4-2(5,6)1(10,11)3(7,8)9": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,1,1,3,3,3-Hexachloro-2,2-difluoropropane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1,1,3,3,3-Hexachloro-2,2-difluoropropane"
]
},
"attested_by": {
"1,1,1,3,3,3-Hexachloro-2,2-difluoropropane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
286.747
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(Cl)(Cl)Cl)(C(Cl)(Cl)Cl)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"286.747": [
"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": [
283.809923
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(Cl)(Cl)Cl)(C(Cl)(Cl)Cl)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"283.809923": [
"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=J35.464C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:76650;CAS:3182-26-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3182-26-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3182-26-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:76650;CAS:3182-26-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3182-26-1]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2074322",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:76650;CAS:3182-26-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3182-26-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/76650",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:76650;CAS:3182-26-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3182-26-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82002707",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:76650;CAS:3182-26-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3182-26-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "08a91e70-3ddc-11dd-9866-0050c2490048",
"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": [
"3182-26-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=3182-26-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3182-26-1"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_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