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Synthetic aroma chemicals

Benzonitrile

Also known as Phenyl cyanide, Cyanobenzene, Benzenenitrile

CAS 100-47-0Formula C7H5NMolar mass 103.12 g/molEC 202-855-7
GHS signal word: Warning. Pictograms: Harmful or irritant 56 suppliers listed
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Benzonitrile chemical structure, C7H5N, CAS 100-47-0
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Liquid
Melting point
-12.8 °C
Boiling point
190.7 °C
Density
1.0093 g/cm³ at 15 °C
Flash point
70 °C
HS code
292690
Category
Synthetic aroma chemicals
UN number
UN 2224
Illustrative photo, 25 litre white jerry cans of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Benzonitrile?

Plain description, key identifiers and synonyms

Benzonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. It is a nitrile and a member of benzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzonitrile
CAS number
100-47-0 CAS number cross-checked
EC number
202-855-7
Molecular formula
C7H5N
UNII
9V9APP5H5S
MDL number
MFCD00001770
INCI name
BENZONITRILE
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C#N

Synonyms

  • Phenyl cyanide
  • Cyanobenzene
  • Benzenenitrile
  • Benzoic acid nitrile
  • Benzene, cyano-
  • Benzenecarbonitrile
  • Phenylcyanide
  • Fenylkyanid
  • benzonitrile, phenyl cyanide
  • 4-cyanobenzene
  • benzo nitrile
  • benzonitrile solvent
  • Benzonitrile, anhydrous, >=99%
  • Benzonitrile, for HPLC, 99.9%
  • Benzonitrile, ReagentPlus(R), 99%
  • UN 2224
  • Benzonitrile Solution in Acetonitrile, 100ug/mL
  • Benzonitrile Solution in Acetonitrile, 1000ug/mL

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

Appearance
Liquidexp.
Odour
Odor of volatile oil of almondexp.
Taste
Sharp tasteexp.
Melting point
-12.8 °Cexp.
Boiling point
190.7 °Cexp.
Density
1.0093 g/cm³ at 15 °Cexp.
Flash point
70 °Cexp.
Autoignition temperature
550 °Cexp.
Solubility
In water, 2000 mg/L at 25 °Cexp.
Vapour pressure
0.768 mm Hg at 25 °Cexp.

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
103.0422 Dacalc.
LogP (octanol/water)
1.56calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
8calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
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.
  • H312Harmful in contact with skin.
Precautionary statements (10)
  • 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 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2224
Transport hazard class
6.1
Packing group
II

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

Benzonitrile suppliers

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All 56 suppliers
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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

56 suppliers in 15 countries

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Benzonitrile 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

Synthesis of benzoquanamine, additive in nickel-plating baths, for separating naphthalene and alkylphthalenes from non-aromatics by azetropic distillation, as jet-fuel additive, in cotton bleaching baths, as a drying additive for acrylic fibers, in the removal of titanium tetrachloride and vanadium oxytrichloride from silicon tetrachloride.

Intermediate for rubber chemicals, solvent for nitrile rubber, specialty lacquers, and many resins and polymers, and for many anhydrous metallic salts.

In perfumes at a maximum level of 0.2% in the final product.

Cosmetic ingredient, INCI name BENZONITRILE(perfuming)

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

How it is made

Prepared by heating Na benzenesulfonate with NaCN or by adding benzenediazonium chloride solution to a hot aqueous NaCN solution containing CuSO4 and distilling.

From benzoic acid by heating with lead thiocyanate.

The reaction of benzoic acid (or substituted benzoic acid) with urea at 220-240 °C in the presence of a metallic catalyst.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 608-012-00-3

Health and food

  • EU cosmetic ingredient inventory

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

Frequently asked questions

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

What is Benzonitrile?

Benzonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. It is a nitrile and a member of benzenes.

What is the CAS number of Benzonitrile?

The CAS registry number of Benzonitrile is 100-47-0.

What is the molecular formula and weight of Benzonitrile?

The molecular formula of Benzonitrile is C7H5N and its molar mass is 103.12 g/mol.

What is Benzonitrile used for?

Synthesis of benzoquanamine, additive in nickel-plating baths, for separating naphthalene and alkylphthalenes from non-aromatics by azetropic distillation, as jet-fuel additive, in cotton bleaching baths, as a drying additive for acrylic fibers, in the removal of titanium tetrachloride and vanadium oxytrichloride from…

Is Benzonitrile hazardous?

Benzonitrile carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Benzonitrile?

Benzonitrile 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 Benzonitrile?

CompoundList lists 56 suppliers of Benzonitrile in China, United States, India, United Kingdom and 11 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Benzonitrile in India?

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

What is the price of Benzonitrile?

Suppliers quote Benzonitrile 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 Benzonitrile

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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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