CompoundList
Sign in
Aromatic building blocks

3-Nitrovalerophenone

Also known as 3-Nitro-1-phenylpentan-1-one, 3-Nitro-1-phenyl-1-pentanone, 1-Pentanone,4-nitro-1-phenyl-

CAS 80460-02-2Formula C11H13NO3Molar mass 207.23 g/mol
Get quotes Safety data
3-Nitrovalerophenone chemical structure, C11H13NO3, CAS 80460-02-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80460-02-2
Formula
C11H13NO3
Molar mass
207.23 g/mol
HS code
291479
Category
Aromatic building blocks

What is 3-Nitrovalerophenone?

Plain description, key identifiers and synonyms

3-Nitrovalerophenone is a chemical substance with the molecular formula C11H13NO3 and a molar mass of 207.23 g/mol. Its CAS registry number is 80460-02-2. The IUPAC name is 3-nitro-1-phenylpentan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-nitro-1-phenylpentan-1-one
CAS number
80460-02-2 CAS number cross-checkedOther or deprecated CAS: 81729-27-3
Molecular formula
C11H13NO3
InChIKey
YLQMBGMZWJYCSW-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO3/c1-2-10(12(14)15)8-11(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
SMILES (canonical and isomeric)
CCC(CC(=O)C1=CC=CC=C1)[N+](=O)[O-]

Synonyms

  • 3-Nitro-1-phenylpentan-1-one
  • 3-Nitro-1-phenyl-1-pentanone
  • 1-Pentanone,4-nitro-1-phenyl-
  • 3-Nitro-1-phenyl-1-pentanone #

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
207.23 g/molcalc.
Exact mass
207.0895 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
60.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
1calc.
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.

3-Nitrovalerophenone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade 3-Nitrovalerophenone can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

3-Nitrovalerophenone price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 3-Nitrovalerophenone 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 3-Nitrovalerophenone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Nitrovalerophenone, based on the data on this page

What is 3-Nitrovalerophenone?

3-Nitrovalerophenone is a chemical substance with the molecular formula C11H13NO3 and a molar mass of 207.23 g/mol. Its CAS registry number is 80460-02-2. The IUPAC name is 3-nitro-1-phenylpentan-1-one.

What is the CAS number of 3-Nitrovalerophenone?

The CAS registry number of 3-Nitrovalerophenone is 80460-02-2. Other or deprecated CAS numbers: 81729-27-3.

What is the molecular formula and weight of 3-Nitrovalerophenone?

The molecular formula of 3-Nitrovalerophenone is C11H13NO3 and its molar mass is 207.23 g/mol.

What is 3-Nitrovalerophenone used for?

Known uses and roles of 3-Nitrovalerophenone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Nitrovalerophenone hazardous?

No GHS hazard classification for 3-Nitrovalerophenone 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 3-Nitrovalerophenone?

3-Nitrovalerophenone 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 3-Nitrovalerophenone?

Post a free request on CompoundList and suppliers of 3-Nitrovalerophenone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Nitrovalerophenone?

Suppliers quote 3-Nitrovalerophenone 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 3-Nitrovalerophenone

Get quotes for 3-Nitrovalerophenone

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell 3-Nitrovalerophenone
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of 3-Nitrovalerophenone with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/3-nitrovalerophenone-80460-02-2" title="3-Nitrovalerophenone structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aromatic building blocks or HS code 291479

Price on request
Free quotes, contact stays private
Get quotes