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Aromatic building blocks

Methylnitrochrysene

Also known as 1-methyl-3-nitrochrysene

CAS 80182-33-8Formula C19H13NO2Molar mass 287.32 g/mol
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Methylnitrochrysene chemical structure, C19H13NO2, CAS 80182-33-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80182-33-8
Formula
C19H13NO2
Molar mass
287.32 g/mol
HS code
290420
Category
Aromatic building blocks

What is Methylnitrochrysene?

Plain description, key identifiers and synonyms

Methylnitrochrysene is a chemical substance with the molecular formula C19H13NO2 and a molar mass of 287.32 g/mol. Its CAS registry number is 80182-33-8. The IUPAC name is 1-methyl-3-nitrochrysene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-methyl-3-nitrochrysene
CAS number
80182-33-8 CAS number cross-checked
Molecular formula
C19H13NO2
InChIKey
ZIAOMROBSCTTJG-UHFFFAOYSA-N
InChI
InChI=1S/C19H13NO2/c1-12-10-14(20(21)22)11-19-15(12)8-9-17-16-5-3-2-4-13(16)6-7-18(17)19/h2-11H,1H3
SMILES (canonical and isomeric)
CC1=CC(=CC2=C1C=CC3=C2C=CC4=CC=CC=C43)[N+](=O)[O-]

Synonyms

  • 1-methyl-3-nitrochrysene

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
287.32 g/molcalc.
Exact mass
287.0946 Dacalc.
LogP (octanol/water)
5.36calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
22calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.05calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc2c(c1)ccc1c3ccccc3ccc21

c1ccc2c(c1)ccc1c3ccccc3ccc21

4 rings, 18 atoms, the Chrysene ring system.

198 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.

Methylnitrochrysene suppliers

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Methylnitrochrysene 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 Methylnitrochrysene 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 Methylnitrochrysene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methylnitrochrysene, based on the data on this page

What is Methylnitrochrysene?

Methylnitrochrysene is a chemical substance with the molecular formula C19H13NO2 and a molar mass of 287.32 g/mol. Its CAS registry number is 80182-33-8. The IUPAC name is 1-methyl-3-nitrochrysene.

What is the CAS number of Methylnitrochrysene?

The CAS registry number of Methylnitrochrysene is 80182-33-8.

What is the molecular formula and weight of Methylnitrochrysene?

The molecular formula of Methylnitrochrysene is C19H13NO2 and its molar mass is 287.32 g/mol.

What is Methylnitrochrysene used for?

Known uses and roles of Methylnitrochrysene include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methylnitrochrysene hazardous?

No GHS hazard classification for Methylnitrochrysene 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 Methylnitrochrysene?

Methylnitrochrysene 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 Methylnitrochrysene?

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

What is the price of Methylnitrochrysene?

Suppliers quote Methylnitrochrysene 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 Methylnitrochrysene

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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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