Diisopropyl 3,3'-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthylene)azo]]bis[4-methylbenzoate]
fo-b27c94636d9137bd
Identity
- Type
- Neutral molecule
- CAS
- 71566-54-6
- EC
- 275-639-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
8- 1,1′-Bis(1-methylethyl) 3,3′-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl]]bis[4-methylbenzoate]
- Benzoic acid, 3,3′-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl]]bis[4-methyl-, 1,1′-bis(1-methylethyl) ester
- Benzoic acid, 3,3′-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo]]bis[4-methyl-, bis(1-methylethyl) ester
- C.I. Pigment Red 221
- Cromophtal Red 2B
- Cromophtal Red K 4035
- Pigment Red 221
- Red K 4035
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KTIRDZPYBSANLK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C50H42Cl2N6O8/c1-25(2)65-49(63)31-17-15-27(5)39(21-31)55-57-43-33-13-9-7-11-29(33)19-35(45(43)59)47(61)53-41-23-38(52)42(24-37(41)51)54-48(62)36-20-30-12-8-10-14-34(30)44(46(36)60)58-56-40-22-32(18-16-28(40)6)50(64)66-26(3)4/h7-26,59-60H,1-6H3,(H,53,61)(H,54,62) |
| IUPAC name chemrof:IUPAC_name | 3-[[3-[[2,5-dichloro-4-[[3-hydroxy-4-(5-isopropoxycarbonyl-2-methyl-phenyl)azo-2-naphthoyl]amino]phenyl]carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-methyl-benzoic acid isopropyl ester, 3-[[3-[[2,5-dichloro-4-[[[3-hydroxy-4-[2-methyl-5-[oxo(propan-2-yloxy)methyl]phenyl]azo-2-naphthalenyl]-oxomethyl]amino]anilino]-oxomethyl]-2-hydroxy-1-naphthalenyl]azo]-4-methylbenzoic acid propan-2-yl ester, isopropyl 3-[[3-[[2,5-dichloro-4-[[3-hydroxy-4-(5-isopropoxycarbonyl-2-methyl-phenyl)azo-naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-methyl-benzoate, propan-2-yl 3-[[3-[[2,5-bis(chloranyl)-4-[[4-[(2-methyl-5-propan-2-yloxycarbonyl-phenyl)diazenyl]-3-oxidanyl-naphthalen-2-yl]carbonylamino]phenyl]carbamoyl]-2-oxidanyl-naphthalen-1-yl]diazenyl]-4-methyl-benzoate, propan-2-yl 3-[[3-[[2,5-dichloro-4-[[3-hydroxy-4-[(2-methyl-5-propan-2-yloxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methylbenzoate |
| Molecular formula chemrof:molecular_formula | C50H42Cl2N6O8 |
| Molecular mass chemrof:molecular_mass | 925.826 |
| Monoisotopic mass chemrof:monoisotopic_mass | 924.244118 |
| SMILES string chemrof:smiles_string | CC1=C(C=C(C=C1)C(=O)OC(C)C)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4Cl)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)C(=O)OC(C)C)C)Cl)O |
Known URLs
7Where 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=71566-54-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.068.742 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.108.148 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50887929 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J289.219G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/136144465 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82867297 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ad73a2fe-f595-42cd-9021-10c50d6f618a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8c461c64-b1cd-454f-aaf6-f999731d03f3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 20111d17-ea6b-43ad-bce0-092f3807c7bc | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a6e5bf47-ec66-486a-9a1d-220ba3e62eb5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d51a8acb-a9e0-446c-9263-43b0623f33a1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5074769f-f9bb-4413-aaea-cfedc7d5add6 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 441e69fe-2ca9-4314-9a61-e6b18b4878c0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 94257c83-6138-4ff2-a34e-8ab0c1dfa13d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e2adca47-50c3-4bd0-9b3d-15eeb1e92d42 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| cd511c72-6c9b-4c5d-8457-f00efd515cd5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ddc59e6d-e93d-431e-bd7a-334cbb0986d9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 21a69fb8-2d05-4a6f-9e3b-b07a78e76ae9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 06a82c27-cc38-4446-96de-491526cc97d3 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"3-[[3-[[2,5-dichloro-4-[[[3-hydroxy-4-[2-methyl-5-[oxo(propan-2-yloxy)methyl]phenyl]azo-2-naphthalenyl]-oxomethyl]amino]anilino]-oxomethyl]-2-hydroxy-1-naphthalenyl]azo]-4-methylbenzoic acid propan-2-yl ester",
"isopropyl 3-[[3-[[2,5-dichloro-4-[[3-hydroxy-4-(5-isopropoxycarbonyl-2-methyl-phenyl)azo-naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-methyl-benzoate",
"propan-2-yl 3-[[3-[[2,5-bis(chloranyl)-4-[[4-[(2-methyl-5-propan-2-yloxycarbonyl-phenyl)diazenyl]-3-oxidanyl-naphthalen-2-yl]carbonylamino]phenyl]carbamoyl]-2-oxidanyl-naphthalen-1-yl]diazenyl]-4-methyl-benzoate",
"propan-2-yl 3-[[3-[[2,5-dichloro-4-[[3-hydroxy-4-[(2-methyl-5-propan-2-yloxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methylbenzoate"
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"isopropyl 3-[[3-[[2,5-dichloro-4-[[3-hydroxy-4-(5-isopropoxycarbonyl-2-methyl-phenyl)azo-naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-methyl-benzoate": [
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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