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Nitriles, nitro and azo compounds

1-Nitropentane

Also known as Pentane, 1-nitro-, Nitropentane, Pentane,1-nitro

CAS 628-05-7Formula C5H11NO2Molar mass 117.15 g/molEC 211-025-3
GHS signal word: Warning. Pictograms: Harmful or irritant
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1-Nitropentane chemical structure, C5H11NO2, CAS 628-05-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
628-05-7
Formula
C5H11NO2
Molar mass
117.15 g/mol
EC number
211-025-3
HS code
290420
Category
Nitriles, nitro and azo compounds

What is 1-Nitropentane?

Plain description, key identifiers and synonyms

1-Nitropentane is a chemical substance with the molecular formula C5H11NO2 and a molar mass of 117.15 g/mol. Its CAS registry number is 628-05-7.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-nitropentane
CAS number
628-05-7 CAS number cross-checked
EC number
211-025-3
Molecular formula
C5H11NO2
UNII
AU9UDR808R
MDL number
MFCD00007410
InChIKey
BVALZCVRLDMXOQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3
SMILES (canonical and isomeric)
CCCCC[N+](=O)[O-]

Synonyms

  • Pentane, 1-nitro-
  • Nitropentane
  • Pentane,1-nitro
  • Pentane, 1-nitro-(8CI)
  • Pentane, 1-nitro-(8CI)(9CI)
  • 1-nitro-pentane
  • 1-Nitropentane, 97%
  • Pentane, 1-nitro- (8CI)(9CI)
  • 1-Nitropentane, purum, >=97.0% (GC)

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
117.15 g/molcalc.
Exact mass
117.079 Dacalc.
LogP (octanol/water)
1.45calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

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

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

1-Nitropentane suppliers

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

Frequently asked questions

Quick answers about 1-Nitropentane, based on the data on this page

What is 1-Nitropentane?

1-Nitropentane is a chemical substance with the molecular formula C5H11NO2 and a molar mass of 117.15 g/mol. Its CAS registry number is 628-05-7.

What is the CAS number of 1-Nitropentane?

The CAS registry number of 1-Nitropentane is 628-05-7.

What is the molecular formula and weight of 1-Nitropentane?

The molecular formula of 1-Nitropentane is C5H11NO2 and its molar mass is 117.15 g/mol.

What is 1-Nitropentane used for?

Known uses and roles of 1-Nitropentane include building blocks in research and laboratory.

Is 1-Nitropentane hazardous?

1-Nitropentane carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-Nitropentane?

1-Nitropentane 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 1-Nitropentane?

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What is the price of 1-Nitropentane?

Suppliers quote 1-Nitropentane 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 1-Nitropentane

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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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