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Nitriles, nitro and azo compounds

2'-Nitroacetophenone

Also known as 1-(2-Nitrophenyl)ethanone, 2-Nitroacetophenone, o-Nitroacetophenone

CAS 577-59-3Formula C8H7NO3Molar mass 165.15 g/molEC 209-414-8
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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2'-Nitroacetophenone chemical structure, C8H7NO3, CAS 577-59-3
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Melting point
27.8 to 28.9
Boiling point
157.8 °C
Flash point
>112.8
Solubility
Insoluble
HS code
291479
Category
Nitriles, nitro and azo compounds
Illustrative photo, a closed 1000 litre IBC tote in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 2'-Nitroacetophenone?

Plain description, key identifiers and synonyms

O-nitroacetophenone is a clear yellow liquid. Insoluble in water. (NTP, 1992)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2-nitrophenyl)ethanone
CAS number
577-59-3 CAS number cross-checkedOther or deprecated CAS: 36812-06-3
EC number
209-414-8
Molecular formula
C8H7NO3
UNII
52L53K4X3O
MDL number
MFCD00007144
InChIKey
SUGXZLKUDLDTKX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3
SMILES (canonical and isomeric)
CC(=O)C1=CC=CC=C1[N+](=O)[O-]

Synonyms

  • 1-(2-Nitrophenyl)ethanone
  • 2-Nitroacetophenone
  • o-Nitroacetophenone
  • 2-Acetylnitrobenzene
  • Ethanone, 1-(2-nitrophenyl)-
  • 1-acetyl-2-nitrobenzene
  • Nitroacetophenone, o-
  • Methyl o-nitrophenyl ketone
  • 4-07-00-00655 (Beilstein Handbook Reference)
  • o-Nitrophenyl methyl ketone
  • o-Acetylnitrobenzene
  • o-Nitroacetylbenzene
  • Acetophenone, 2'-nitro-
  • Methyl 2-nitrophenyl ketone
  • 1-(2-Nitrophenyl)ethan-1-one
  • o-nitroacetophenon
  • 1-(2-nitrophenyl)-ethanone
  • 1-(2-nitro-phenyl)-ethanone
  • Ethanone, 1-(nitrophenyl)-
  • 2`-Nitroacetophenone
  • 2'-nitro-acetophenone
  • 2'-Nitroacetophenone, 95%
  • 2 inverted exclamation mark -Nitroacetoph
  • 2 inverted exclamation mark -Nitroacetophenone

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

Physical form
Liquidexp.
Melting point
27.8 to 28.9exp.
Boiling point
157.8 °Cexp.
Flash point
>112.8exp.
Solubility
Insolubleexp.

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
165.15 g/molcalc.
Exact mass
165.0426 Dacalc.
LogP (octanol/water)
1.8calc.
Topological polar surface area
60.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.13calc.
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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

2'-Nitroacetophenone suppliers

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All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 1 country

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2'-Nitroacetophenone 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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Added by a premanufacture notice

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2'-Nitroacetophenone is traded under.

HS 2914.79Indicative HS code

Halogenated, sulphonated, nitrated or nitrosated derivatives, other

World exports in 2024
$558M
−12.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China41.2%
  2. India * partner reported28.7%
  3. Germany16.7%
Top importers
  1. United States29.1%
  2. Italy9.9%
  3. Switzerland * partner reported8.8%

* Partner reported figures, a lower bound.

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

The HS code shown for 2'-Nitroacetophenone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2'-Nitroacetophenone, based on the data on this page

What is 2'-Nitroacetophenone?

O-nitroacetophenone is a clear yellow liquid. Insoluble in water. (NTP, 1992)

What is the CAS number of 2'-Nitroacetophenone?

The CAS registry number of 2'-Nitroacetophenone is 577-59-3. Other or deprecated CAS numbers: 36812-06-3.

What is the molecular formula and weight of 2'-Nitroacetophenone?

The molecular formula of 2'-Nitroacetophenone is C8H7NO3 and its molar mass is 165.15 g/mol.

What is 2'-Nitroacetophenone used for?

Known uses and roles of 2'-Nitroacetophenone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2'-Nitroacetophenone hazardous?

2'-Nitroacetophenone carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2'-Nitroacetophenone?

2'-Nitroacetophenone is usually classified under HS code 291479 (Halogenated, sulphonated, nitrated or nitrosated derivatives, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2'-Nitroacetophenone?

CompoundList lists 2 suppliers of 2'-Nitroacetophenone in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 2'-Nitroacetophenone?

Suppliers quote 2'-Nitroacetophenone 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'-Nitroacetophenone

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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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