← Back to consensus flow objects
2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole
| Flow Object ID | fo-208cdb83c257f537 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 3775-55-1 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
VTWQUFUBSCXPOW-UHFFFAOYSA-N, XMLFPUBZFSJWCN-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C6H4N4O4/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9), InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)
|
| IUPAC name |
2-hydroxy-4-(trifluoromethyl)benzoic acid, 2-oxidanyl-4-(trifluoromethyl)benzoic acid, 5-(5-nitro-2-furanyl)-1,3,4-oxadiazol-2-amine, 5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-amine, 5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-amine, [5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]amine
|
| Molecular formula |
C6H4N4O4, C8H5F3O3
|
| SMILES |
C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N, C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J460.699J
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J65.680A
- https://chem.echa.europa.eu/100.148.971
- https://chem.echa.europa.eu/100.306.148
- https://chem.echa.europa.eu/100.410.832
- https://commonchemistry.cas.org/detail?cas_rn=328-90-5
- https://commonchemistry.cas.org/detail?cas_rn=3775-55-1
- https://comptox.epa.gov/dashboard/DTXSID00186474
- https://comptox.epa.gov/dashboard/DTXSID2020058
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CQ2KM98D6A
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UKY7YRE9E9
- https://hmdb.ca/metabolites/HMDB0060715
- https://pubchem.ncbi.nlm.nih.gov/compound/164578
- https://pubchem.ncbi.nlm.nih.gov/compound/77406
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:174020
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3244577
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL423539
- https://www.wikidata.org/wiki/Q63088096
- https://www.wikidata.org/wiki/Q72512906
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
1f3172a3… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
4d9a8790… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
8933379c… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
4d9a8790… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
4d9a8790… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1f3172a3… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
8933379c… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3775-55-1":"exactMatch"} |
group_key=2-amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'3775-55-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-208cdb83c257f537: {'3775-55-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-208cdb83c257f537",
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],
"altLabel": [],
"properties": {
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"C8H5F3O3"
],
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"https://w3id.org/chemrof/smiles_string": {
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"C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N",
"C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O"
],
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},
"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C6H4N4O4/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)",
"InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)"
],
"rdfs:label": "InChI",
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-hydroxy-4-(trifluoromethyl)benzoic acid",
"2-oxidanyl-4-(trifluoromethyl)benzoic acid",
"5-(5-nitro-2-furanyl)-1,3,4-oxadiazol-2-amine",
"5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-amine",
"5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-amine",
"[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]amine"
],
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}