4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)
fo-f01bdb4a1a501f6e
Identity
- Type
- Neutral molecule
- CAS
- 107934-68-9
- EC
- 407-560-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- 4,4′-(9H-Fluoren-9-ylidene)bis[2-chlorobenzenamine]
- 9,9-Bis(3-chloro-4-aminophenyl)-9H-fluorene
- 9,9-Bis(3-chloro-4-aminophenyl)fluorene
- 9,9-Bis(4-amino-3-chlorophenyl)fluorene
- Benzenamine, 4,4′-(9H-fluoren-9-ylidene)bis[2-chloro-
- Lonzacure CAF
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | CIZUMWWHWPJAAK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2 |
| IUPAC name chemrof:IUPAC_name | 4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline) |
| Molecular formula chemrof:molecular_formula | C25H18Cl2N2 |
| Molecular mass chemrof:molecular_mass | 417.339 |
| Monoisotopic mass chemrof:monoisotopic_mass | 416.084704 |
| SMILES string chemrof:smiles_string | Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl |
Known URLs
6Where 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=107934-68-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.904 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60619152 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.782.157H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/21872159 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72444602 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 20851f64-ef21-4221-a40a-30c391ad9623 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 89fce03c-8dc3-4bb3-8fda-f4c128a73f6c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ac8ffabe-7c21-435f-8a8e-5dabb1fa85ac | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 68767bf4-618f-407d-ae6d-aa9ddbaf21a4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d60635e3-6527-499c-8820-6071275be11f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9decb6fe-549a-4583-bd2b-335871fd0979 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| dd4d27b2-283c-4bfb-be8a-0d6754c6f304 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7650b48c-ef0d-4d18-9284-fbd2371dd162 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 4163176c-61c2-4557-93f7-9a4d2e0447ea | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7b396827-f100-4552-b7c4-d756ce875b2b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9d51a640-bf56-4ed8-b958-bcea7a3e5da1 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 91a00b9e-8a04-49d9-a194-e19fc26fb98a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1d8488d8-306d-4c19-9a14-436e1b5bc200 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-f01bdb4a1a501f6e",
"prefLabel": [
{
"@value": "4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)",
"@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": "4,4′-(9H-Fluoren-9-ylidene)bis[2-chlorobenzenamine]",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107934-68-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9,9-Bis(3-chloro-4-aminophenyl)-9H-fluorene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107934-68-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9,9-Bis(3-chloro-4-aminophenyl)fluorene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107934-68-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9,9-Bis(4-amino-3-chlorophenyl)fluorene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107934-68-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 4,4′-(9H-fluoren-9-ylidene)bis[2-chloro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107934-68-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lonzacure CAF",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107934-68-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C25H18Cl2N2"
],
"attested_by": {
"C25H18Cl2N2": [
"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:21872159"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"CIZUMWWHWPJAAK-UHFFFAOYSA-N"
],
"attested_by": {
"CIZUMWWHWPJAAK-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:21872159"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
]
}
],
"attested_by": {
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
]
}
],
"attested_by": {
"InChI=1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)"
]
},
"attested_by": {
"4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
417.339
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)N)Cl)C5=CC(=C(C=C5)N)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
]
}
],
"attested_by": {
"417.339": [
"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": [
416.084704
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)N)Cl)C5=CC(=C(C=C5)N)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
]
}
],
"attested_by": {
"416.084704": [
"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=J3.782.157H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21872159;CAS:107934-68-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107934-68-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.100.904",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21872159;CAS:107934-68-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107934-68-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=107934-68-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"107934-68-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60619152",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21872159;CAS:107934-68-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107934-68-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21872159",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21872159;CAS:107934-68-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[107934-68-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72444602",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21872159;CAS:107934-68-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107934-68-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1d8488d8-306d-4c19-9a14-436e1b5bc200",
"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": [
"107934-68-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
}
],
"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": [
"407-560-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=407-560-9"
],
"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