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Valeronitrile chemical structure, C5H9N, CAS 110-59-8
2D chemical structure

Key facts

What buyers check first

Physical form
Liquid
Melting point
-96.1 °C
Boiling point
138.9 to 141.1
Density
0.8008 at 68 °F - Less dense than water, will float
Flash point
40.6 °C
HS code
292690
Category
Impurities and reference standards
UN number
UN 3273
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Valeronitrile?

Plain description, key identifiers and synonyms

Pentanenitrile is a nitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pentanenitrile
CAS number
110-59-8 CAS number cross-checked
EC number
203-781-8
Molecular formula
C5H9N
UNII
X44H3R47D4
MDL number
MFCD00001974
InChIKey
RFFFKMOABOFIDF-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
SMILES (canonical and isomeric)
CCCCC#N

Synonyms

  • Pentanenitrile
  • Butyl cyanide
  • 1-Cyanobutane
  • 1-Butyl cyanide
  • n-BUTYL CYANIDE
  • Pentanonitrile
  • n-Pentanenitrile
  • Butane, 1-cyano-
  • 4-02-00-00875 (Beilstein Handbook Reference)
  • Valproic acid impurity h
  • Valproic acid impurity h (ep impurity)
  • nValeronitrile
  • 1Cyanobutane
  • 1Butyl cyanide
  • Pentanoic acid, nitrile
  • n-Valeronitrile
  • 1-cyano-butane
  • Pentanenitrile (Valeronitrile)
  • Pentanenitrile D9
  • Valeronitrile, 8CI
  • Pentanenitrile, 9CI
  • Valeronitrile, 99.5%
  • Sodium Valproate Impurity 7
  • CH3(CH2)3CN
  • Sodium Valproate EP Impurity H, Valproic Acid EP Impurity H
Show all 26 synonyms
  • Sodium Valproate Impurity H, <br>Valproic Acid EP Impurity H

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
-96.1 °Cexp.
Boiling point
138.9 to 141.1exp.
Density
0.8008 at 68 °F - Less dense than water, will floatexp.
Flash point
40.6 °Cexp.
Solubility
1 to 5 mg/mL at 72.5 °Fexp.
Vapour pressure
5 mmHg at 64.6 °F, 10 mmHg at 86 °F, 20 mmHg at 109.9 °Fexp.

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
83.13 g/molcalc.
Exact mass
83.0735 Dacalc.
LogP (octanol/water)
1.7calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
6calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
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
Danger
GHS02: Flammable
Flammable
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
Precautionary statements (18)
  • 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.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3273

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

Valeronitrile suppliers

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Valeronitrile 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Valeronitrile is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Valeronitrile, based on the data on this page

What is Valeronitrile?

Pentanenitrile is a nitrile.

What is the CAS number of Valeronitrile?

The CAS registry number of Valeronitrile is 110-59-8.

What is the molecular formula and weight of Valeronitrile?

The molecular formula of Valeronitrile is C5H9N and its molar mass is 83.13 g/mol.

Is Valeronitrile hazardous?

Valeronitrile carries the GHS signal word "Danger". Main hazards: flammable liquid and vapour, toxic if swallowed, harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Valeronitrile?

Valeronitrile is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Valeronitrile?

CompoundList lists 21 suppliers of Valeronitrile in India, China, Canada, Czech Republic and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Valeronitrile in India?

11 suppliers in India list Valeronitrile on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Valeronitrile?

Suppliers quote Valeronitrile 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 Valeronitrile

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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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