Bromoacetic Acid
fo-9c0830c294aa89d8
Identity
- Type
- Neutral molecule
- CAS
- 79-08-3
- EC
- 201-175-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
11- 2-Bromoacetic acid
- 2-Bromoethanoic acid
- Acetic acid, 2-bromo-
- Acetic acid, bromo-
- Bromoacetate ion
- Bromoethanoic acid
- Carboxymethyl bromide
- MBAA
- Monobromoacetic acid
- To NTu
- α-Bromoacetic acid
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KDPAWGWELVVRCH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5) |
| IUPAC name chemrof:IUPAC_name | Bromoacetic Acid |
| Molecular formula chemrof:molecular_formula | C2H3BrO2 |
| Molecular mass chemrof:molecular_mass | 138.948 |
| Monoisotopic mass chemrof:monoisotopic_mass | 137.931641 |
| SMILES string chemrof:smiles_string | O=C(O)CBr |
Known URLs
16Where 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=79-08-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.069 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7021495 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02198 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=141 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL60851 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2B3HS32431 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.492C | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA01090074 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1760 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL60851 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6227 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1938 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3425 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q421323 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bromoacetic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8f89bdb1-52a5-40ae-a29f-f49d8772863f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3f6bc9a7-1e63-4b11-ad9a-30e3a4577c56 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 92817f40-14c8-4595-b7ec-0fb373bd57d0 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c339a31a-0d3b-44d2-94f9-f8a9b3754018 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5617f346-96e4-40af-aeaa-0e44addf2068 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| bd8eea74-e088-470c-8698-fc2dcbcea9e5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4823ebd3-9dda-412c-90e4-e82ba303dae7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 784a7814-e674-4729-a3c3-ba4faf2f1277 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 9c56e308-009d-4c3d-872d-7fd60f9f18ee | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c26a9858-1e63-4796-abe4-03f16ff5446a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fb9a469e-d0a2-4fe3-950e-6b39f1fe9a88 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d750eef1-2012-49d6-8b50-6c00afa0b7e2 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fba0e411-d577-4259-a0a6-97925d592b52 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=79-08-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=79-08-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"201-175-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=201-175-8"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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