Lithium Naphthalene-2-carboxylate
fo-c759ba27a1d4c1a8
Identity
- Type
- Chemical salt
- CAS
- 674347-28-5
- EC
- 700-040-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
3- 2-Naphthalenecarboxylic acid, lithium salt
- 2-Naphthalenecarboxylic acid, lithium salt (1:1)
- 2-Naphthoic acid lithium salt
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GAVSPNZZNTUTEG-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H8O2.Li/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,12,13);/q;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | Lithium Naphthalene-2-carboxylate |
| Molecular formula chemrof:molecular_formula | C11H7LiO2 |
| Molecular mass chemrof:molecular_mass | 178.116 |
| Monoisotopic mass chemrof:monoisotopic_mass | 178.060609 |
| SMILES string chemrof:smiles_string | O=C([O-])c1ccc2ccccc2c1.[Li+] |
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=674347-28-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.128.602 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID801037424 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.839.664C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23705456 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 742c4119-dbd1-458d-b4fe-5f4bb8f37926 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f5530a25-8969-4646-9964-e995ccba7014 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f5d41653-89d7-408f-801a-33a362d7683b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9cbbf6d4-2d04-413b-8779-ac3834463c68 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 59ad4ae7-8c39-4086-852e-91ed9a831f83 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 325d9e56-313b-47f1-bccc-5930943180d0 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 361c67b6-e88c-4d19-ac1d-3a0b29d50708 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a202da2c-53f7-40b0-ac71-b9a63b6aee01 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ccd49e29-af5f-43a8-935f-bcef502f3c4b | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| da1f6d86-410b-4acf-89dd-a6bcf35fcecb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3341c67d-05e9-4560-824a-f95f832138e7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| c04b759c-4ea5-4401-8f66-02b585e18064 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c9249e44-7cc7-4821-abc4-e36b0e732f01 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-c759ba27a1d4c1a8",
"prefLabel": [
{
"@value": "Lithium Naphthalene-2-carboxylate",
"@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": "2-Naphthalenecarboxylic acid, lithium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:674347-28-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=674347-28-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Naphthalenecarboxylic acid, lithium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:674347-28-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=674347-28-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Naphthoic acid lithium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:674347-28-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=674347-28-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C11H7LiO2"
],
"attested_by": {
"C11H7LiO2": [
"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:23705456"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])c1ccc2ccccc2c1.[Li+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GAVSPNZZNTUTEG-UHFFFAOYSA-M"
],
"attested_by": {
"GAVSPNZZNTUTEG-UHFFFAOYSA-M": [
"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:23705456"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])c1ccc2ccccc2c1.[Li+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C([O-])c1ccc2ccccc2c1.[Li+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Lithium Naphthalene-2-carboxylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])c1ccc2ccccc2c1.[Li+]"
]
}
],
"attested_by": {
"O=C([O-])c1ccc2ccccc2c1.[Li+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C11H8O2.Li/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,12,13);/q;+1/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Lithium Naphthalene-2-carboxylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])c1ccc2ccccc2c1.[Li+]"
]
}
],
"attested_by": {
"InChI=1S/C11H8O2.Li/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,12,13);/q;+1/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Lithium Naphthalene-2-carboxylate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Lithium Naphthalene-2-carboxylate"
]
},
"attested_by": {
"Lithium Naphthalene-2-carboxylate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
178.116
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[Li+].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])c1ccc2ccccc2c1.[Li+]"
]
}
],
"attested_by": {
"178.116": [
"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": [
178.060609
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[Li+].C1=CC=C2C=C(C=CC2=C1)C(=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])c1ccc2ccccc2c1.[Li+]"
]
}
],
"attested_by": {
"178.060609": [
"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=J2.839.664C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23705456;CAS:674347-28-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[674347-28-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.128.602",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23705456;CAS:674347-28-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[674347-28-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=674347-28-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"674347-28-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID801037424",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23705456;CAS:674347-28-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[674347-28-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23705456",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23705456;CAS:674347-28-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[674347-28-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "325d9e56-313b-47f1-bccc-5930943180d0",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"674347-28-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=674347-28-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=674347-28-5"
}
],
"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": [
"700-040-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=700-040-5"
],
"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/ChemicalSalt"
]
}
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