1-bromopyrrolidine-2,5-dione
fo-37ba26b58eb90047
Identity
- Type
- Neutral molecule
- CAS
- 128-08-5
- EC
- 204-877-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
12- 1-Bromo-2,5-pyrrolidine-dione
- 1-bromo-2,5-pyrrolidinedione
- 2,5-Pyrrolidinedione, 1-bromo-
- Bromosuccinimide
- N-Bromobutanimide
- N-Bromosuccimide
- N-Bromosuccinimide
- NBS
- Succinbromide
- Succinbromimide
- Succinibromimide
- Succinimide, N-bromo-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PCLIMKBDDGJMGD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2 |
| IUPAC name chemrof:IUPAC_name | 1-bromopyrrolidine-2,5-dione |
| Molecular formula chemrof:molecular_formula | C4H4BrNO2 |
| Molecular mass chemrof:molecular_mass | 177.985 |
| Monoisotopic mass chemrof:monoisotopic_mass | 176.94254 |
| SMILES string chemrof:smiles_string | O=C1CCC(=O)N1Br |
Known URLs
20Where 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=128-08-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53174 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.435 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2038738 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:26634 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K8G1F2UCJF | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.405D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58582 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=N-BROMOSUCCINIMIDE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/67184 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019622 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15288278 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15589368 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23935625 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24344777 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24437567 | enrich_references.chebi_xrefs |
| reaxys | reaxys:113916 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q286939 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/N-Bromosuccinimide | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 114a8b56-3f44-4912-922f-f6e11fdbc42f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| de6d7006-e486-4270-8ac6-d11dbc97f801 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| af2bf6da-4e1c-4232-97cf-c5056fb43799 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b2637109-c077-41fd-8bd3-6a1856998bd4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f825df0a-25ce-491c-9ab0-cf130bbdeff9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 7d8ac4c8-f72a-46c3-b17f-b71f7e83d3a3 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| e7cf95fd-80ec-488f-b6b6-5bbe2586cd94 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| cdf4822b-b353-4e4b-91f2-eba695332f1c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5a3040a2-e113-453b-b5ff-5a61d130a9c5 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 0e41282f-4800-4b9c-9201-cc40c67b48dc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 235586bc-40a9-4357-b79b-56e19b060ae6 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e045e216-5056-4347-b1c2-3478bf4a6f8a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 90d81f36-01f9-4f29-b5f4-5ffdfea3d119 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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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