CU(Dap)2 chloride
Key facts
What buyers check first
- Formula
- C52H40ClCuN4O4
- Molar mass
- 883.92 g/mol
- EC number
- 806-025-0
- HS code
- 293399
- Category
- Heterocyclic compounds
What is CU(Dap)2 chloride?
Plain description, key identifiers and synonyms
CU(Dap)2 chloride is a chemical substance with the molecular formula C52H40ClCuN4O4 and a molar mass of 883.92 g/mol. The IUPAC name is bis(2,9-bis(4-methoxyphenyl)-1,10-phenanthroline), chlorocopper.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- bis(2,9-bis(4-methoxyphenyl)-1,10-phenanthroline), chlorocopper
- EC number
- 806-025-0
- Molecular formula
- C52H40ClCuN4O4
- InChI
- InChI=1S/2C26H20N2O2.ClH.Cu/c2*1-29-21-11-5-17(6-12-21)23-15-9-19-3-4-20-10-16-24(28-26(20)25(19)27-23)18-7-13-22(30-2)14-8-18;;/h2*3-16H,1-2H3;1H;/q;;;+1/p-1
- SMILES (canonical and isomeric)
- COC1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)OC)C=C2.COC1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)OC)C=C2.Cl[Cu]
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 883.92 g/molcalc.Computed value |
|---|---|
| Exact mass | 882.2034 Dacalc.Computed value |
| LogP (octanol/water) | 12.96calc.Computed value |
| Topological polar surface area | 88.48 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 8calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 62calc.Computed value |
| Rings | 10calc.Computed value |
| Aromatic rings | 10calc.Computed value |
| Fraction sp3 carbons | 0.08calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Components | 3calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1
5 rings, 26 atoms, the 2,9-Diphenyl-1,10-phenanthroline ring system.
38 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H317May cause an allergic skin reaction.
Precautionary statements (8)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P272Contaminated work clothing should not be allowed out of the workplace.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P333 + P317If skin irritation or rash occurs: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidCU(Dap)2 chloride suppliers
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CU(Dap)2 chloride price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code CU(Dap)2 chloride is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for CU(Dap)2 chloride is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Parent compound
The neutral parent of this salt, hydrate or mixture
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![Bis[2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-N1,N10]copper chemical structure, C52H40CuN4O4+2, CAS 121705-02-0](/s/LJVHQDGWJLYGKF-UHFFFAOYSA-N.svg)
![(T-4)-Copper(1+), bis[2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-kappaN1,kappaN10]-, chloride chemical structure, C52H40ClCuN4O4-, CAS 1392109-17-9](/s/MGAFZLMFUZAJPD-UHFFFAOYSA-M.svg)
![[Cu(dap)2]Cl chemical structure, C52H40ClCuN4O4](/s/id-175667097.svg)
![2,2'-(1,3-Phenylene)bis[9-(4-methoxyphenyl)-1,10-phenanthroline] chemical structure, C44H30N4O2, CAS 159726-85-9](/s/DHFGUMDDFPOBPN-UHFFFAOYSA-N.svg)
![2,2'-(Butane-1,4-diyl)bis[9-(4-methoxyphenyl)-1,10-phenanthroline] chemical structure, C42H34N4O2, CAS 118798-01-9](/s/YIDBDNQQJYYGDP-UHFFFAOYSA-N.svg)
![2,2'-(Hexane-1,6-diyl)bis[9-(4-methoxyphenyl)-1,10-phenanthroline] chemical structure, C44H38N4O2, CAS 142942-24-3](/s/FXYYQOSXVGNPJL-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about CU(Dap)2 chloride, based on the data on this page
What is CU(Dap)2 chloride?
What is the molecular formula and weight of CU(Dap)2 chloride?
Is CU(Dap)2 chloride hazardous?
What is the HS code of CU(Dap)2 chloride?
Where can I buy CU(Dap)2 chloride?
What is the price of CU(Dap)2 chloride?
Guides for buyers
Practical guides that help when you source, ship or handle CU(Dap)2 chloride
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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