← Back to consensus flow objects
1,1-difluoro-2,2-dibromoethane
| Flow Object ID | fo-ca85275ad7b7a1e4 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers |
359-19-3
|
||||
| Changes Applied | 12 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 04204775-6556-11dd-ad8b-0800200c9a66 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
NXFKOKIVSXXVIN-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C2H2Br2F2/c3-1(4)2(5)6/h1-2H
|
| IUPAC name |
1,1-difluoro-2,2-dibromoethane
|
| Molecular formula |
C2H2Br2F2
|
| Molecular mass |
223.842
|
| Monoisotopic mass |
221.849131
|
| SMILES |
FC(F)C(Br)Br
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J73.790I
- https://commonchemistry.cas.org/detail?cas_rn=359-19-3
- https://comptox.epa.gov/dashboard/DTXSID50465100
- https://pubchem.ncbi.nlm.nih.gov/compound/11413424
- https://www.wikidata.org/wiki/Q82290793
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
04204777… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 1 |
04204775… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 1 |
04204778… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 1 |
04206e50… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 1 |
04204776… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 1 |
04206e52… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
04204775… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
04204776… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
04204777… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
04204778… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
04206e50… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
04206e51… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
04206e52… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
04206e53… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"359-19-3":"exactMatch"} |
group_key=1,1-difluoro-2,2-dibromoethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'359-19-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ca85275ad7b7a1e4: {'359-19-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-ca85275ad7b7a1e4",
"prefLabel": [
{
"@value": "1,1-difluoro-2,2-dibromoethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H2Br2F2"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11413424"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)C(Br)Br"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"NXFKOKIVSXXVIN-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11413424"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)C(Br)Br"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"FC(F)C(Br)Br"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1-difluoro-2,2-dibromoethane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)C(Br)Br"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C2H2Br2F2/c3-1(4)2(5)6/h1-2H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1-difluoro-2,2-dibromoethane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)C(Br)Br"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,1-difluoro-2,2-dibromoethane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1-difluoro-2,2-dibromoethane"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
"223.842"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(Br)Br)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)C(Br)Br"
]
}
],
"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": [
"221.849131"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(Br)Br)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)C(Br)Br"
]
}
],
"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=J73.790I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11413424;CAS:359-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[359-19-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=359-19-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"359-19-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID50465100",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11413424;CAS:359-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[359-19-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11413424",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11413424;CAS:359-19-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[359-19-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82290793",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11413424;CAS:359-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[359-19-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "04204775-6556-11dd-ad8b-0800200c9a66",
"seed_source": "EF 3.1"
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"359-19-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=359-19-3"
],
"skos:exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=359-19-3"
}
],
"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
}