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Nitriles, nitro and azo compounds

1-Nitrobutane

Also known as Butane, 1-nitro-, 1-nitro-butane, 4-01-00-00277 (Beilstein Handbook Reference)

CAS 627-05-4Formula C4H9NO2Molar mass 103.12 g/molEC 210-980-3
GHS signal word: Warning. Pictograms: Flammable
Get quotes Safety data
1-Nitrobutane chemical structure, C4H9NO2, CAS 627-05-4
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Boiling point
152.8 °C
Density
0.971 - Less dense than water, will float
Solubility
Slightly soluble
HS code
290420
Category
Nitriles, nitro and azo compounds
UN number
UN 1993
Illustrative photo, 200 litre blue HDPE drums of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 1-Nitrobutane?

Plain description, key identifiers and synonyms

1-nitrobutane is a C-nitro compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-nitrobutane
CAS number
627-05-4 CAS number cross-checked
EC number
210-980-3
Molecular formula
C4H9NO2
UNII
7R02589S2G
MDL number
MFCD00007409
InChIKey
NALZTFARIYUCBY-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3
SMILES (canonical and isomeric)
CCCC[N+](=O)[O-]

Synonyms

  • Butane, 1-nitro-
  • 1-nitro-butane
  • 4-01-00-00277 (Beilstein Handbook Reference)
  • nitrobutane
  • 1-Nitrobutane, 98%
  • Nitrobutane, 1-
  • n-C4H9NO2

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.
Boiling point
152.8 °Cexp.
Density
0.971 - Less dense than water, will floatexp.
Solubility
Slightly solubleexp.

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
103.12 g/molcalc.
Exact mass
103.0633 Dacalc.
LogP (octanol/water)
1.06calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
7calc.
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
GHS02: Flammable
Flammable

Hazard statements

  • H226Flammable liquid and vapour.
Precautionary statements (11)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1993

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-Nitrobutane suppliers

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

Frequently asked questions

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

What is 1-Nitrobutane?

1-nitrobutane is a C-nitro compound.

What is the CAS number of 1-Nitrobutane?

The CAS registry number of 1-Nitrobutane is 627-05-4.

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

The molecular formula of 1-Nitrobutane is C4H9NO2 and its molar mass is 103.12 g/mol.

What is 1-Nitrobutane used for?

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

Is 1-Nitrobutane hazardous?

1-Nitrobutane carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-Nitrobutane?

1-Nitrobutane 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-Nitrobutane?

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What is the price of 1-Nitrobutane?

Suppliers quote 1-Nitrobutane 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-Nitrobutane

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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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