1,2-dibromo-2,4-dicyanobutane
fo-a2e664df736b1bab
Identity
- Type
- Neutral molecule
- CAS
- 35691-65-7
- EC
- 252-681-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
17- 1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile
- 2-Bromo-2-(bromomethyl)glutaronitrile
- 2-bromo-2-(bromomethyl)pentanedinitrile
- 2-Bromo-2-bromomethylglutaronitrile
- BBMG
- Bromothalonil
- Cosmoguard
- DBDCB
- MDBGN
- MDGN
- Methyldibromo glutaronitrile
- Methyldibromoglutaronitrile
- Pentanedinitrile, 2-bromo-2-(bromomethyl)-
- Tektamer
- Tektamer 38
- Tektamer 38AD
- Tuopai DM 01
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DHVLDKHFGIVEIP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2 |
| IUPAC name chemrof:IUPAC_name | 1,2-dibromo-2,4-dicyanobutane |
| Molecular formula chemrof:molecular_formula | C6H6Br2N2 |
| Molecular mass chemrof:molecular_mass | 265.936 |
| Monoisotopic mass chemrof:monoisotopic_mass | 263.88977, 263.889772 |
| SMILES string chemrof:smiles_string | N#CCCC(Br)(C#N)CBr |
Known URLs
35Where 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=35691-65-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62823 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.047.877 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1546 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3024944 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB14199 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188084 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YX089CPS05 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.889K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=62445 | enrich_references.pubchem_identifier_url |
| patent | patent:CN101595876 | enrich_references.chebi_xrefs |
| patent | patent:CN101595879 | enrich_references.chebi_xrefs |
| patent | patent:CN101617668 | enrich_references.chebi_xrefs |
| patent | patent:CN101642109 | enrich_references.chebi_xrefs |
| patent | patent:EP1188377 | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL3188084 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/61948 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3261 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19321115 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19426617 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19457305 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19470301 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19883218 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20233547 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20940038 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21144344 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21317857 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21325848 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21332463 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21569742 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21616561 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29079364 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1930600 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q1972088 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Methyldibromo_glutaronitrile | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4d298f-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9652-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 3080ae84-190b-44b0-8f66-aabaa19f33fc | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9651-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9653-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9650-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-964e-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-9ed7-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-964f-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-9ed5-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-9ed8-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9654-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| bc81bc5f146dbf92b759ff4c248c2c9b0b7951d7 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-9ed6-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 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