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Aromatic building blocks

2,2,2-Trinitro-1-phenylethane

Also known as Benzene, trinitro-ethyl-, phenyltrinitroethane, (2,2,2-Trinitroethyl)benzene

CAS 38677-56-4Formula C8H7N3O6Molar mass 241.16 g/mol
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2,2,2-Trinitro-1-phenylethane chemical structure, C8H7N3O6, CAS 38677-56-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
38677-56-4
Formula
C8H7N3O6
Molar mass
241.16 g/mol
HS code
290420
Category
Aromatic building blocks

What is 2,2,2-Trinitro-1-phenylethane?

Plain description, key identifiers and synonyms

2,2,2-Trinitro-1-phenylethane is a chemical substance with the molecular formula C8H7N3O6 and a molar mass of 241.16 g/mol. Its CAS registry number is 38677-56-4. The IUPAC name is 2,2,2-trinitroethylbenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2,2-trinitroethylbenzene
CAS number
38677-56-4 CAS number cross-checked
Molecular formula
C8H7N3O6
InChIKey
AJYDBHCFRVMOBB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3O6/c12-9(13)8(10(14)15,11(16)17)6-7-4-2-1-3-5-7/h1-5H,6H2
SMILES (canonical and isomeric)
C1=CC=C(C=C1)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Synonyms

  • Benzene, trinitro-ethyl-
  • phenyltrinitroethane
  • (2,2,2-Trinitroethyl)benzene
  • (2,2,2-Trinitroethyl) benzene
  • (2,2,2-Trinitroethyl)benzene #

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
241.16 g/molcalc.
Exact mass
241.0335 Dacalc.
LogP (octanol/water)
0.71calc.
Topological polar surface area
129.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.25calc.
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.

2,2,2-Trinitro-1-phenylethane suppliers

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2,2,2-Trinitro-1-phenylethane 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 2,2,2-Trinitro-1-phenylethane 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 2,2,2-Trinitro-1-phenylethane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2,2,2-Trinitro-1-phenylethane, based on the data on this page

What is 2,2,2-Trinitro-1-phenylethane?

2,2,2-Trinitro-1-phenylethane is a chemical substance with the molecular formula C8H7N3O6 and a molar mass of 241.16 g/mol. Its CAS registry number is 38677-56-4. The IUPAC name is 2,2,2-trinitroethylbenzene.

What is the CAS number of 2,2,2-Trinitro-1-phenylethane?

The CAS registry number of 2,2,2-Trinitro-1-phenylethane is 38677-56-4.

What is the molecular formula and weight of 2,2,2-Trinitro-1-phenylethane?

The molecular formula of 2,2,2-Trinitro-1-phenylethane is C8H7N3O6 and its molar mass is 241.16 g/mol.

What is 2,2,2-Trinitro-1-phenylethane used for?

Known uses and roles of 2,2,2-Trinitro-1-phenylethane include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2,2,2-Trinitro-1-phenylethane hazardous?

No GHS hazard classification for 2,2,2-Trinitro-1-phenylethane 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 2,2,2-Trinitro-1-phenylethane?

2,2,2-Trinitro-1-phenylethane 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 2,2,2-Trinitro-1-phenylethane?

Post a free request on CompoundList and suppliers of 2,2,2-Trinitro-1-phenylethane will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2,2,2-Trinitro-1-phenylethane?

Suppliers quote 2,2,2-Trinitro-1-phenylethane 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 2,2,2-Trinitro-1-phenylethane

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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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