Direct brown 95
Key facts
What buyers check first
- Formula
- C31H20CuN6Na2O9S
- Molar mass
- 762.13 g/mol
- EC number
- 240-221-1
- HS code
- 320414
- Category
- Direct dyes
What is Direct brown 95?
Plain description, key identifiers and synonyms
Direct brown 95 is a chemical substance with the molecular formula C31H20CuN6Na2O9S and a molar mass of 762.13 g/mol. The IUPAC name is disodium, copper, 5-[[4-[4-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- disodium, copper, 5-[[4-[4-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
- EC number
- 240-221-1
- Molecular formula
- C31H20CuN6Na2O9S
- InChIKey
- FGQQVJFSJRQICW-UHFFFAOYSA-L
- InChI
- InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;;2*+1/p-2
- SMILES (canonical and isomeric)
- C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC(=C3O)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])O)O)N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+].[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 | 762.13 g/molcalc.Computed value |
|---|---|
| Exact mass | 761.0104 Dacalc.Computed value |
| LogP (octanol/water) | 0.7calc.Computed value |
| Topological polar surface area | 252.4 Ųcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 15calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 50calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 5calc.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 (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(N=Nc2ccc(-c3ccc(N=Nc4cccc(N=Nc5ccccc5)c4)cc3)cc2)cc1
5 rings, 36 atoms.
23 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H350May cause cancer.
Precautionary statements (5)
- P203Obtain, read and follow all safety instructions before use.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- P405Store locked up.
- 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 aidDirect brown 95 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Direct brown 95 can send you quotes. Your contact details stay private until you accept a quote.
Direct brown 95 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
Industries and functions
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 Direct brown 95 is traded under.
Direct dyes and preparations based thereon
- Italy9.8%
- Germany8.7%
- Netherlands7.8%
* Partner reported figures, a lower bound.
The HS code shown for Direct brown 95 is indicative (it is known at chapter level only). 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
![Disodium 5-[[4'-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate chemical structure, C31H20N6Na2O8S, CAS 2893-80-3](/s/BNANBFLJWROFPW-UHFFFAOYSA-L.svg)
Frequently asked questions
Quick answers about Direct brown 95, based on the data on this page
Is Direct brown 95 hazardous?
Guides for buyers
Practical guides that help when you source, ship or handle Direct brown 95
- 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
Get quotes for Direct brown 95
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Direct brown 95 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/direct-brown-95-cid-171369693" title="Direct brown 95 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Direct dyes or HS code 320414