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Screening compounds

SynuClean-D

Also known as 5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 5-Nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, SynuClean D

CAS 685121-45-3Formula C13H5F3N4O5Molar mass 354.20 g/mol
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SynuClean-D chemical structure, C13H5F3N4O5, CAS 685121-45-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
685121-45-3
Formula
C13H5F3N4O5
Molar mass
354.20 g/mol
HS code
293339
Category
Screening compounds

What is SynuClean-D?

Plain description, key identifiers and synonyms

SynuClean-D is a chemical substance with the molecular formula C13H5F3N4O5 and a molar mass of 354.20 g/mol. Its CAS registry number is 685121-45-3. The IUPAC name is 5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CAS number
685121-45-3
Molecular formula
C13H5F3N4O5
InChIKey
OJRLTEJFYMZKQB-UHFFFAOYSA-N
InChI
InChI=1S/C13H5F3N4O5/c14-13(15,16)9-8(5-17)12(21)18-10(11(9)20(24)25)6-2-1-3-7(4-6)19(22)23/h1-4H,(H,18,21)
SMILES (canonical and isomeric)
C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=C(C(=O)N2)C#N)C(F)(F)F)[N+](=O)[O-]

Synonyms

  • 5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
  • 5-Nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
  • SynuClean D
  • SynuClean-?D
  • SC-D
  • 2-hydroxy-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinonitrile

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
354.20 g/molcalc.
Exact mass
354.0212 Dacalc.
LogP (octanol/water)
2.75calc.
Topological polar surface area
142.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.08calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1cccc(-c2ccccc2)[nH]1

O=c1cccc(-c2ccccc2)[nH]1

2 rings, 13 atoms, the 6-Phenyl-2-pyridone ring system.

359 other chemicals share this scaffold

Safety 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.

SynuClean-D suppliers

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SynuClean-D 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

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 SynuClean-D is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for SynuClean-D is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SynuClean-D, based on the data on this page

What is SynuClean-D?

SynuClean-D is a chemical substance with the molecular formula C13H5F3N4O5 and a molar mass of 354.20 g/mol. Its CAS registry number is 685121-45-3. The IUPAC name is 5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

What is the CAS number of SynuClean-D?

The CAS registry number of SynuClean-D is 685121-45-3.

What is the molecular formula and weight of SynuClean-D?

The molecular formula of SynuClean-D is C13H5F3N4O5 and its molar mass is 354.20 g/mol.

What is SynuClean-D used for?

Known uses and roles of SynuClean-D include building blocks in research and laboratory and screening compounds in research and laboratory.

Is SynuClean-D hazardous?

No GHS hazard classification for SynuClean-D is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of SynuClean-D?

SynuClean-D is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy SynuClean-D?

Post a free request on CompoundList and suppliers of SynuClean-D will send you quotes. Your contact details stay private until you accept a quote.

What is the price of SynuClean-D?

Suppliers quote SynuClean-D on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle SynuClean-D

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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