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Aromatic building blocks

1,8-Dinitropyrene

Also known as Pyrene, 1,8-dinitro-, 1,8-Dinitropyrene (90%), 1,8-Dinitropyrene-d8

CAS 42397-65-9Formula C16H8N2O4Molar mass 292.25 g/molEC 636-985-4
GHS signal word: Warning. Pictograms: Serious health hazard 1 supplier listed
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1,8-Dinitropyrene chemical structure, C16H8N2O4, CAS 42397-65-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
42397-65-9
Formula
C16H8N2O4
Appearance
Light brown needles recrystalized from benzene and methanol
Melting point
>300
HS code
290420
Category
Aromatic building blocks
Illustrative photo, 25 kg white woven sacks of powder on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 1,8-Dinitropyrene?

Plain description, key identifiers and synonyms

1,8-Dinitropyrene is a member of pyrenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,8-dinitropyrene
CAS number
42397-65-9 CAS number cross-checkedOther or deprecated CAS: 121700-15-0
EC number
636-985-4
Molecular formula
C16H8N2O4
UNII
51U7E9MW6I
InChIKey
BLYXNIHKOMELAP-UHFFFAOYSA-N
InChI
InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H
SMILES (canonical and isomeric)
C1=CC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC4=C(C=CC1=C43)[N+](=O)[O-]

Synonyms

  • Pyrene, 1,8-dinitro-
  • 1,8-Dinitropyrene (90%)
  • 1,8-Dinitropyrene-d8
  • Pyrene, 1,8-dinitro-, 1,8-Dinitropyrene
  • 1,8-Dinitropyrene [Nitroarenes]
  • 1,8-Dinitro-pyrene
  • 1,8-Dinitropyrene, 98%
  • Dinitropyrene, 1,8-
  • 1,8-Dinitropyrene (90per cent)

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

Appearance
Light brown needles recrystalized from benzene and methanolexp.
Melting point
>300exp.

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
292.25 g/molcalc.
Exact mass
292.0484 Dacalc.
LogP (octanol/water)
4.4calc.
Topological polar surface area
86.28 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
22calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
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, c1cc2ccc3cccc4ccc(c1)c2c34

c1cc2ccc3cccc4ccc(c1)c2c34

4 rings, 16 atoms, the Pyrene ring system.

630 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H351Suspected of causing 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 aid

1,8-Dinitropyrene suppliers

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  • Veeprho
    Czech Republic, Czech RepublicUnclaimed profile
    1,8-DinitropyreneGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

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1,8-Dinitropyrene 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

1,8-Dinitropyrene has been reported to be a photosensitizer, increasing the spectral activity of bis-azide compounds with light. However, no evidence was found that 1,8-dinitropyrene is currently used commercially for this or other applications.

Pharmacological actions

  • Carcinogens
  • Mutagens

Pharmacology

1,8-Dinitropyrene is a synthetic, yellow crystalline solid that is insoluble in water and moderately soluble in toluene. It is not used for any commercial applications and is used only for research purposes. When heated to decomposition, 1,8-dinitropyrene emits toxic fumes of nitrogen oxides. 1,8-dinitropyrene is found in particulate emissions from combustion products, of which diesel exhaust is the principle source. The primary route of potential human exposure to this chemical is inhalation. Detectable levels of 1,8-dinitropyrene have been found in respirable particulates from ambient atmospheric samples. It is reasonably anticipated to be a human carcinogen. (NCI05)

How it is made

Mixtures of 1,3-, 1,6- and 1,8-dinitropyrenes are produced by the nitration of pyrene, and 1,8-dinitropyrene has been isolated and purified from such preparations.

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 1,8-Dinitropyrene is traded under.

HS 2904.20Indicative HS code

Derivatives containing only nitro or only nitroso groups

World exports in 2024
$440M
+46.4% vs 2023, imports $463M
2019 to 2024
Top exporters
  1. Germany27.6%
  2. Poland17.1%
  3. Portugal16.0%
Top importers
  1. Belgium34.0%
  2. United States11.0%
  3. Germany9.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 1,8-Dinitropyrene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1,8-Dinitropyrene, based on the data on this page

What is 1,8-Dinitropyrene?

1,8-Dinitropyrene is a member of pyrenes.

What is the CAS number of 1,8-Dinitropyrene?

The CAS registry number of 1,8-Dinitropyrene is 42397-65-9. Other or deprecated CAS numbers: 121700-15-0.

What is the molecular formula and weight of 1,8-Dinitropyrene?

The molecular formula of 1,8-Dinitropyrene is C16H8N2O4 and its molar mass is 292.25 g/mol.

What is 1,8-Dinitropyrene used for?

1,8-Dinitropyrene has been reported to be a photosensitizer, increasing the spectral activity of bis-azide compounds with light. However, no evidence was found that 1,8-dinitropyrene is currently used commercially for this or other applications.

Is 1,8-Dinitropyrene hazardous?

1,8-Dinitropyrene carries the GHS signal word "Warning". Main hazards: suspected of causing cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1,8-Dinitropyrene?

1,8-Dinitropyrene is usually classified under HS code 290420 (Derivatives containing only nitro or only nitroso groups). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 1,8-Dinitropyrene?

CompoundList lists 1 supplier of 1,8-Dinitropyrene in Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 1,8-Dinitropyrene?

Suppliers quote 1,8-Dinitropyrene 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 1,8-Dinitropyrene

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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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