Copper Chlorophthalocyanine
fo-f849e3dc54f923a8
Identity
- Type
- Chemical salt
- CAS
- 12239-87-1
- EC
- 235-476-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
This substance carries 5 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
15- (Chlorophthalocyaninato)copper
- 29H,31H-Phthalocyanine, C-chloro-, copper complex
- [C-Chloro-29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]copper
- Blue J 61SE
- Blue J 620
- Copper monochlorophthalocyanine
- Copper, [C-chloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-
- Copper, [C-chloro-29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-
- Copper, [chlorophthalocyaninato(2-)]-
- Monochlorocopper phthalocyanine
- Phthalocyanine, chloro-, copper deriv.
- Pigment Sky Blue Phthalocyanine 2ZU
- Sanyo Cyanine Blue F 1102
- Vibracolor Blue PBL 15L
- Vynamon Blue SA-FW
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LKCOEHCLWCHLEU-UHFFFAOYSA-M, RUAHPZFTXGLMGP-UHFFFAOYSA-M, UJBLOYBUFAHAKQ-UHFFFAOYSA-M, UODKSNQRYKJFKC-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C32H16N8.ClH.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;1H;/q-2;;+1/p-1, InChI=1S/C32H17N8.ClH.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H,(H-,33,34,35,36,37,38,39,40);1H;/q-1;;+2/p-1, InChI=1S/C32H19N8.ClH.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-18H,(H-,33,34,35,36,37,38,39,40);1H;/q-1;;+2/p-1, InChI=1S/C32H55N8.ClH.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h17-35,37-40H,1-16H2;1H;/q-1;;+2/p-1 |
| IUPAC name chemrof:IUPAC_name | chloranylcopper(1+);2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene, chloranylcopper(1+);2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene, chloranylcopper(1+);2,11,20,29,37,39,40-heptaza-38-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane, chloranylcopper;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene, chlorocopper(1+);2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene, chlorocopper(1+);2,11,20,29,37,38,39-heptaza-40-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene, chlorocopper(1+);2,11,20,29,37,39,40-heptaza-38-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane, chlorocopper;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene, copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride, cupric;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride |
| Molecular formula chemrof:molecular_formula | C32H16ClCuN8-2, C32H17ClCuN8, C32H19ClCuN8, C32H55ClCuN8 |
| SMILES string chemrof:smiles_string | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3.Cl[Cu+], C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94.Cl[Cu+], C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.Cl[Cu], C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=C7C=CC=CC7=C([N-]6)N=C2N3)C8=CC=CC=C85)C9C4C=CC=C9.[Cl-].[Cu+2], C1CCC2C(C1)C3NC2NC4C5CCCCC5C(N4)NC6C7CCCCC7C([N-]6)NC8C9CCCCC9C(N3)N8.Cl[Cu+] |
Known URLs
9Where 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=12239-87-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.032.239 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3051622 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/122130884 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/133108868 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/138394853 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/76420152 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91867977 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q72499502 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 062e286f-e38c-4c95-913f-2ed0b4b0487b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e291d6d3-6fd8-4e14-846e-b6f09ec0aab2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 6b7cdf5e-c46b-45fe-a7d8-35f5c8fc0c84 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 0ae3ebb3-aecd-457e-b325-9e1ee37380de | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 341ad6db-40c8-457f-a52e-68ce45c96a17 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 6cd6ec24-8a41-4192-9a91-061a609cb21a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 2a3bf726-8725-4c71-af1c-6451fbb14d0c | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0ea5123f-98c5-4798-a02b-161e155fdba6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 288637b2-a77e-4691-92ff-77c14aed7d1b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 44796cb1-a9a1-491a-9060-50103337f700 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4caa9c83-ceb7-43c4-b5ff-50e4650ffd6d | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| aedae6e8-85ba-4c1c-b3e2-3d706feca8e3 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe64856b-313c-45f6-9531-851a60c59a2e | 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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{
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{
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{
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{
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{
"@value": "Pigment Sky Blue Phthalocyanine 2ZU",
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},
{
"@value": "Sanyo Cyanine Blue F 1102",
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},
{
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},
{
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],
"properties": {
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"@value": [
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"C32H17ClCuN8",
"C32H19ClCuN8",
"C32H55ClCuN8"
],
"attested_by": {
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],
"C32H55ClCuN8": [
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},
"rdfs:label": "Molecular formula",
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{
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},
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"C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.Cl[Cu]",
"C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=C7C=CC=CC7=C([N-]6)N=C2N3)C8=CC=CC=C85)C9C4C=CC=C9.[Cl-].[Cu+2]",
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