Tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate
fo-c61056471e51aa44
Identity
- Type
- Chemical salt
- CAS
- 187674-70-0
- EC
- 421-950-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
3- 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)
- 1,5-Naphthalenedisulfonic acid, 3-[[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
- Ilford Y 104
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DPZAWVAAMOZRKW-UHFFFAOYSA-J, GOZVVCJRTYIZOP-UHFFFAOYSA-J |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C27H30N6O13S6.4Na/c1-16-12-21(28-25-29-26(47-8-4-10-49(34,35)36)31-27(30-25)48-9-5-11-50(37,38)39)22(46-2)15-20(16)33-32-17-13-19-18(24(14-17)52(43,44)45)6-3-7-23(19)51(40,41)42;;;;/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,28,29,30,31);;;;/q;4*+1/p-4 |
| IUPAC name chemrof:IUPAC_name | 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4) |
| Molecular formula chemrof:molecular_formula | C27H26N6Na4O13S6, C27H26N6NaO13S6-3 |
| SMILES string chemrof:smiles_string | COc1cc(N=Nc2cc(S(=O)(=O)[O-])c3cccc(S(=O)(=O)[O-])c3c2)c(C)cc1Nc1nc(SCCCS(=O)(=O)[O-])nc(SCCCS(=O)(=O)[O-])n1.[Na+].[Na+].[Na+].[Na+] |
Known URLs
8Where 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=187674-70-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.052 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.119.902 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90890477 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.208.449D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/44147076 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/72475732 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82870345 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0aa61143-5373-4f6b-8200-3a31c98e076c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d02685ad-a565-45ca-b0c0-904c07fd132c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c43b507a-c9d8-4439-9ea4-4c91243146f9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c7e2b935-688a-471e-a71f-b6064dfb377e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 38cc226e-aa0a-4f2b-ae27-248f1661e795 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e1efbec0-83d7-452c-b813-d820a4c8740d | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a7f362e9-4760-4fe1-9bdd-3f0f6e84302f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 05efd8a1-ec4f-4452-9df9-c8f4e9a0e5ee | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c65037ae-0939-4a06-b561-3e876adb350d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 393328fb-b06b-4cec-853e-72f39712fe7c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 931638c5-da45-4d60-a655-e2ca524bed15 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| c1a0c33d-056f-47e4-974e-18dfa57fa830 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c684db37-a024-4e1d-9d8e-938c806c1752 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 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