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Aromatic building blocks

Nitrothymol

Also known as 6-Isopropyl-3-methyl-2-nitrophenol, 3-methyl-2-nitro-6-propan-2-ylphenol

CAS 86031-16-5Formula C10H13NO3Molar mass 195.22 g/mol
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Nitrothymol chemical structure, C10H13NO3, CAS 86031-16-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86031-16-5
Formula
C10H13NO3
Molar mass
195.22 g/mol
HS code
290899
Category
Aromatic building blocks

What is Nitrothymol?

Plain description, key identifiers and synonyms

Nitrothymol is a chemical substance with the molecular formula C10H13NO3 and a molar mass of 195.22 g/mol. Its CAS registry number is 86031-16-5. The IUPAC name is 3-methyl-2-nitro-6-propan-2-ylphenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methyl-2-nitro-6-propan-2-ylphenol
CAS number
86031-16-5
Molecular formula
C10H13NO3
InChIKey
CYUYOFIGNXMLPJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3
SMILES (canonical and isomeric)
CC1=C(C(=C(C=C1)C(C)C)O)[N+](=O)[O-]

Synonyms

  • 6-Isopropyl-3-methyl-2-nitrophenol
  • 3-methyl-2-nitro-6-propan-2-ylphenol

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
195.22 g/molcalc.
Exact mass
195.0895 Dacalc.
LogP (octanol/water)
2.73calc.
Topological polar surface area
63.37 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.4calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Nitrothymol suppliers

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Nitrothymol 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 Nitrothymol is traded under.

HS 2908.99Indicative HS code

Halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or…

World exports in 2024
$77.7M
+4.6% vs 2023, imports $83.7M
2019 to 2024
Top exporters
  1. China32.2%
  2. India * partner reported22.2%
  3. Spain8.5%
Top importers
  1. United States13.9%
  2. Spain10.6%
  3. Turkey8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Nitrothymol?

Nitrothymol is a chemical substance with the molecular formula C10H13NO3 and a molar mass of 195.22 g/mol. Its CAS registry number is 86031-16-5. The IUPAC name is 3-methyl-2-nitro-6-propan-2-ylphenol.

What is the CAS number of Nitrothymol?

The CAS registry number of Nitrothymol is 86031-16-5.

What is the molecular formula and weight of Nitrothymol?

The molecular formula of Nitrothymol is C10H13NO3 and its molar mass is 195.22 g/mol.

What is Nitrothymol used for?

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

Is Nitrothymol hazardous?

No GHS hazard classification for Nitrothymol 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 Nitrothymol?

Nitrothymol is usually classified under HS code 290899 (Halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitrothymol?

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

What is the price of Nitrothymol?

Suppliers quote Nitrothymol 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 Nitrothymol

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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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