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Nitrofen
| Flow Object ID | fo-c254bc572a0fe84a | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 13410-72-5, 1836-75-5 | ||||
| EC Numbers | 217-406-0 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| Formal charge |
0
|
| InChIKey |
XITQUSLLOSKDTB-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
|
| IUPAC name |
2,4-bis(chloranyl)-1-(4-nitrophenoxy)benzene, 2,4-dichloro-1-(4-nitrophenoxy)benzene
|
| Molecular formula |
C12H7Cl2NO3
|
| Molecular mass |
284.098
|
| Monoisotopic mass |
282.9803
|
| SMILES |
C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl, O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.991K
- https://chem.echa.europa.eu/100.015.824
- https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0929
- https://commonchemistry.cas.org/detail?cas_rn=1836-75-5
- https://comptox.epa.gov/dashboard/DTXSID7020970
- https://en.wikipedia.org/wiki/Nitrofen
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N71UYG034A
- https://hmdb.ca/metabolites/HMDB0041951
- https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44411
- https://pubchem.ncbi.nlm.nih.gov/compound/15787
- https://pubchem.ncbi.nlm.nih.gov/erg/#3077
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7590
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL561004
- https://www.genome.jp/entry/C11065
- https://www.kegg.jp/entry/C11065
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49656
- https://www.wikidata.org/wiki/Q414023
ppdb:1422
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
1f30d65e… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 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) | 4 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
dba99526… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
08a91e70… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
1f30d65e… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
dba99526… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"13410-72-5":"exactMatch","1836-75-5":"relatedMatch"} |
group_key=nitrofen||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13410-72-5': [], '1836-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c254bc572a0fe84a: {'13410-72-5': 'exactMatch', '1836-75-5': 'relatedMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-c254bc572a0fe84a",
"prefLabel": [
{
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"@language": "en",
"@lang": "en",
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"EF 3.1"
],
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}
}
],
"altLabel": [],
"properties": {
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"C12H7Cl2NO3"
],
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"C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl",
"O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1"
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"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H"
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