4-nitroanthranilic Acid
fo-1698b065aad5e99c
Identity
- Type
- Neutral molecule
- CAS
- 619-17-0
- EC
- 210-583-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
6- 2-amino-4-nitrobenzoic acid
- 2-Azaniumyl-4-nitrobenzoate
- 2-Carboxy-5-nitroaniline
- 4-Nitro-2-aminobenzoic acid
- Anthranilic acid, 4-nitro-
- Benzoic acid, 2-amino-4-nitro-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UEALKTCRMBVTFN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11) |
| IUPAC name chemrof:IUPAC_name | 4-nitroanthranilic Acid |
| Molecular formula chemrof:molecular_formula | C7H6N2O4 |
| Molecular mass chemrof:molecular_mass | 182.135 |
| Monoisotopic mass chemrof:monoisotopic_mass | 182.032757, 182.03276 |
| SMILES string chemrof:smiles_string | Nc1cc([N+](=O)[O-])ccc1C(=O)O |
Known URLs
17Where 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=619-17-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75335 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.622 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8020963 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7789 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1603870 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D7402082SS | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.669A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12076 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019476 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12799682 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16097390 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3328032 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/4024104 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8851823 | enrich_references.chebi_xrefs |
| reaxys | reaxys:785071 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27145223 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 95023e81-3d15-4269-9480-5e8df7aa9073 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| cee7e339-3cf3-47d1-a780-880b63cf0f4c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 897161fa-70ba-4916-b35d-d4cd92b41a48 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 1755aa23-170e-4194-a141-97f3c667cf24 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 289e36c4-43b2-4305-b223-916d572e667c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 540e76c9-bf6e-4811-9a79-a3708b884362 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| afb49e35-ea72-4c3c-96c6-63c79f64ec57 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 963c33a2-ed7d-402d-b160-16a6bfaff369 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 1cb050b7-62a5-4272-8528-68ab81bc4520 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 8128f5f1-fabf-44da-85f7-d8238f540caa | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 01f53c7f-2b58-4a78-82da-aec92cd61d34 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 7eb824ae-54b4-41bf-a3d9-e5f0b041d6e5 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| dc2553aa-e7ad-48b3-893c-095964b025f2 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
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}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "01f53c7f-2b58-4a78-82da-aec92cd61d34",
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"reason": "",
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],
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}
}
},
"classifications": {
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"@value": [
"619-17-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=619-17-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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],
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},
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"@value": [
"210-583-5"
],
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],
"provenance": {
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},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "An aminobenzoic acid that is anthranilic acid with a nitro substituent at position 4.",
"@language": "en",
"provenance": {
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"@type": [
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]
}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