RefChem:579658
Key facts
What buyers check first
- CAS number
- 71215-75-3
- Formula
- C34H20CuN10O15S2
- Molar mass
- 936.27 g/mol
- EC number
- 275-268-7
- HS code
- 292700
- Category
- Amines and amides
What is RefChem:579658?
Plain description, key identifiers and synonyms
RefChem:579658 is a chemical substance with the molecular formula C34H20CuN10O15S2 and a molar mass of 936.27 g/mol. Its CAS registry number is 71215-75-3. The IUPAC name is copper, hydron, 4-[[4-hydroxy-3-[(4-nitrophenyl)diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-2-oxidophenyl]diazenyl]-7-nitro-3-oxidonaphthalene-1-sulfonate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- copper, hydron, 4-[[4-hydroxy-3-[(4-nitrophenyl)diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-2-oxidophenyl]diazenyl]-7-nitro-3-oxidonaphthalene-1-sulfonate
- CAS number
- 71215-75-3
- EC number
- 275-268-7
- Molecular formula
- C34H20CuN10O15S2
- InChIKey
- ORAFACVOUGSBFI-UHFFFAOYSA-L
- InChI
- InChI=1S/C34H22N10O15S2.Cu/c45-28-16-29(60(54,55)56)24-13-21(43(50)51)9-11-23(24)31(28)40-39-27-15-26(33(46)32(34(27)47)41-37-19-5-7-20(8-6-19)42(48)49)38-36-18-3-1-17(2-4-18)35-25-12-10-22(44(52)53)14-30(25)61(57,58)59;/h1-16,35,45-47H,(H,54,55,56)(H,57,58,59);/q;+2/p-2
- SMILES (canonical and isomeric)
- [H+].[H+].C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C(=C3O)N=NC4=CC=C(C=C4)[N+](=O)[O-])[O-])N=NC5=C6C=CC(=CC6=C(C=C5[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Cu+2]
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 | 936.27 g/molcalc.Computed value |
|---|---|
| Exact mass | 934.9847 Dacalc.Computed value |
| LogP (octanol/water) | 7.44calc.Computed value |
| Topological polar surface area | 396.4 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 22calc.Computed value |
| Rotatable bonds | 13calc.Computed value |
| Heavy atoms | 62calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 6calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Components | 4calc.Computed value |
| Lipinski rule of five | Fails (3 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(N=Nc2cc(N=Nc3ccc(Nc4ccccc4)cc3)cc(N=Nc3cccc4ccccc34)c2)cc1
6 rings, 41 atoms.
13 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
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RefChem:579658 price
Indicative price range per kg from live supplier offers
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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
United States
- TSCA inventory (USA)Status: Inactive in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code RefChem:579658 is traded under.
Diazo-, azo- or azoxy compounds
- United States10.2%
- India * partner reported9.1%
- South Korea9.1%
* Partner reported figures, a lower bound.
The HS code shown for RefChem:579658 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
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![Copper, hydron, 4-[[4-hydroxy-3-[(4-nitrophenyl)diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-2-oxidophenyl]diazenyl]-7-nitro-3-oxidonaphthalene-1-sulfonate chemical structure, C34H20CuN10O15S2](/s/id-165361130.svg)
![Bis(4-[[3-[(4-anilino-3-sulfonatophenyl)diazenyl]-4-hydroxy-5-[(2-methoxyphenyl)diazenyl]-2-oxidophenyl]diazenyl]-7-nitro-3-oxidonaphthalene-1-sulfonate), hydron, iron(3+) chemical structure, C70H49FeN16O24S4](/s/id-165361046.svg)
![Disodium 2,2'-[(2,4-dihydroxy-1,3-phenylene)bis(azo-4,1-phenyleneimino)]bis(5-nitrobenzenesulphonate) chemical structure, C30H20N8Na2O12S2, CAS 71799-43-4](/s/GYVPMHHWPSYINH-UHFFFAOYSA-L.svg)
![2,7-Naphthalenedisulfonic acid, 4-[2-[2,4-dihydroxy-3-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-5-[2-(4-nitro-2-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:4) chemical structure, C34H19N9Na4O18S4, CAS 1184935-91-8](/s/VJPRDSXYORXSGX-UHFFFAOYSA-J.svg)
Same formula isomers
Different compounds that share this molecular formula
Guides for buyers
Practical guides that help when you source, ship or handle RefChem:579658
- 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
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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