1,3-bis(2,3-diaminophenylazo)benzene Hydrochloride
fo-b0a031f18e800afa
Identity
- Type
- Molecular complex
- CAS
- 10114-58-6
- EC
- 233-314-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
9- 1,3-Benzenediamine, 4,4′-[1,3-phenylenebis(2,1-diazenediyl)]bis-, hydrochloride (1:2)
- 1,3-Benzenediamine, 4,4′-[1,3-phenylenebis(azo)]bis-, dihydrochloride
- 4,4'-[1,3-phenylenebis(diazene-2,1-diyl)]di(benzene-1,3-diamine) dihydrochloride
- Basic brown 1
- Bismarck brown
- Bismarck brown Y
- C.I. Basic Brown 1, dihydrochloride
- Manchester brown
- Phenylene brown
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MCZVRBLCRZWFJH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H |
| IUPAC name chemrof:IUPAC_name | 4,4'-[1,3-phenylenebis(diazene-2,1-diyl)]di(benzene-1,3-diamine) dihydrochloride |
| Molecular formula chemrof:molecular_formula | C18H18N8.2HCl, C18H20Cl2N8 |
| Molecular mass chemrof:molecular_mass | 419.32 |
| Monoisotopic mass chemrof:monoisotopic_mass | 418.118798, 418.1188 |
| SMILES string chemrof:smiles_string | Cl.Cl.Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1 |
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=10114-58-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53615 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.030.273 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5024558 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/14MUB626S2 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/82360 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16095814 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16455100 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18844695 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20292688 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24271729 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6171060 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9138538 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9187732 | enrich_references.chebi_xrefs |
| reaxys | reaxys:8372091 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q412880 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bismarck_brown_Y | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 737ad467-5d4c-49f2-8054-59fbda6df661 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 076e8608-f768-4658-9f4f-b9bb323213e5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7ca862ca-2369-4e06-8c2a-3f22ba9509b7 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 2acd27b6-0b1e-457e-b8bb-ebd44b9a3598 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8aa2217c-694e-429a-b103-f7d88c56bac5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 33bd8ca5-97f4-4be4-8882-f6ffe2c3b1a9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 68a1eaf4-0ed5-4aaa-b40a-25f16f101a61 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 01ef8053-2ef2-4ba2-8bdd-488f62fcf69c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 65ce75e5-320e-4756-a0c0-8fdef7cb30cd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 281c461b-02c0-43ca-b0d2-32be494a4c4a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 838c68d9-75b1-4f18-8930-7e502443593a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| cc4f8792-9370-42df-aff8-c84903906d0c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 9f4d4590-b3f8-45bb-9094-8ba9f6c16aa0 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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