Bronopol
fo-43ab622892246e36
Identity
- Type
- Neutral molecule
- CAS
- 52-51-7
- EC
- 200-143-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
29- 1,3-Propanediol, 2-bromo-2-nitro-
- 2-Bromo-2-nitro-1,3-propanediol
- 2-Bromo-2-nitropropan-1,3-diol
- 2-Bromo-2-nitropropane-1,3-diol
- 2-Nitro-2-bromo-1,3-propanediol
- Acticide L 10
- Acticide L 30
- Bactrinashak
- Bactronol
- Bioban
- Bioban BP 10
- Bioban BP 40
- Bioban BP Plus
- BNPD
- BNPK
- Bronidiol
- Bronocot
- Bronotak
- Myacide AS
- Myacide AS Plus
- Myacide BT
- Myacide Pharma BP
- Nalco 92RU093
- Preventol P 100
- Protectol BN
- Protectol BN 98
- Protectol BN 99
- Pyceze
- Ultra-Fresh SAB
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LVDKZNITIUWNER-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2 |
| IUPAC name chemrof:IUPAC_name | 1,3-Propanediol, 2-bromo-2-nitro- |
| Molecular formula chemrof:molecular_formula | C3H6BrNO4 |
| Molecular mass chemrof:molecular_mass | 199.988 |
| Monoisotopic mass chemrof:monoisotopic_mass | 198.94802 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])C(Br)(CO)CO |
Known URLs
25Where 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=52-51-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31306 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.131 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0415 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8024652 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB13960 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=141021 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1408862 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G47426ZE | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6PU1E16C9W | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.911I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C13034 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D01577 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C13034 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D01577 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67431 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77031 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1408862 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:98 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2450 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3241 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1114345 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:98 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2462902 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bronopol | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 21e47d11-fb1f-4afa-9709-a177263de458 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f8860e75-78fe-4740-83f4-dfd033fcafa6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7431a22d-5f5c-4bb0-bd72-695bdbd6b03a | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 5ed5b3f3-f84f-430c-b94d-16bae1f4fa52 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ec2db399-a2e8-4897-9317-5cf4054e25a4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 3ec2581c-6eb5-4b60-8746-6060589069f9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 295624f7-1bbf-4edc-96ee-5fe914c73eb3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 6adc83cd-2acd-4f53-b627-fb3e44e10d1d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c4dbad2e054187c5a17c8c175f22c1b9eb40a550 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 5c534433-3a86-42d1-86de-2efab439bf80 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| bfd8304c-b65a-4b90-9bc8-136afd9afb6d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 23431654-bbd1-4417-bdb7-9ee81726c705 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 90f51e7f-d4bc-4b60-870d-0457951b4800 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 393d9e16-369f-46d7-abff-9958137a977a | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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{
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{
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},
{
"@value": "Bioban BP 40",
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},
{
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}
},
{
"@value": "BNPD",
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],
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}
},
{
"@value": "BNPK",
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},
{
"@value": "Bronidiol",
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},
{
"@value": "Bronocot",
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},
{
"@value": "Bronotak",
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},
{
"@value": "Myacide AS",
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},
{
"@value": "Myacide AS Plus",
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},
{
"@value": "Myacide BT",
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},
{
"@value": "Myacide Pharma BP",
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},
{
"@value": "Nalco 92RU093",
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},
{
"@value": "Preventol P 100",
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},
{
"@value": "Protectol BN",
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{
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{
"@value": "Protectol BN 99",
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},
{
"@value": "Pyceze",
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},
{
"@value": "Ultra-Fresh SAB",
"@language": "en",
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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