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Nitriles, nitro and azo compounds

3-Tolunitrile

Also known as m-Tolunitrile, 3-Methylbenzonitrile, m-Cyanotoluene

CAS 620-22-4Formula C8H7NMolar mass 117.15 g/molEC 210-631-5
GHS signal word: Warning. Pictograms: Harmful or irritant 8 suppliers listed
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3-Tolunitrile chemical structure, C8H7N, CAS 620-22-4
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Melting point
-22.8 °C
Boiling point
212.8 °C
Density
1.0316 at 68 °F - Denser than water, will sink
Flash point
86.7 °C
HS code
292690
Category
Nitriles, nitro and azo compounds
Illustrative photo, 200 litre blue HDPE drums of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 3-Tolunitrile?

Plain description, key identifiers and synonyms

M-tolunitrile is a clear, yellow liquid. (NTP, 1992)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylbenzonitrile
CAS number
620-22-4 CAS number cross-checked
EC number
210-631-5
Molecular formula
C8H7N
UNII
AH2J4VY1AK
MDL number
MFCD00001808
InChIKey
BOHCMQZJWOGWTA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
SMILES (canonical and isomeric)
CC1=CC(=CC=C1)C#N

Synonyms

  • m-Tolunitrile
  • 3-Methylbenzonitrile
  • m-Cyanotoluene
  • 3-Cyanotoluene
  • Benzonitrile, 3-methyl-
  • m-Toluonitrile
  • m-Methylbenzonitrile
  • m-Toluenenitrile
  • m-Tolylnitrile
  • m-Tolynitrile
  • 1-Methyl-3-cyanobenzene
  • 3-Toluenkarbonitril
  • Nitril kyseliny m-toluylove
  • Nitril kyseliny m-toluylove (czech)
  • 3-Tolyl cyanide
  • Tolunitrile, m-
  • mCyanotoluene
  • mToluenenitrile
  • mToluonitrile
  • mTolylnitrile
  • mTolynitrile
  • 3Cyanotoluene
  • 3Tolunitrile
  • 3Toluenkarbonitril
  • mMethylbenzonitrile
Show all 37 synonyms
  • 3Methylbenzonitrile
  • 1Methyl3cyanobenzene
  • 3Methyl benzonitrile
  • Benzonitrile, 3methyl
  • Nitril kyseliny mtoluylove
  • Nitril kyseliny mtoluylove (czech)
  • 3-methylbenzenecarbonitrile
  • 3-methyl-benzonitrile
  • Letrozole Impurity 12
  • MTN
  • meta-Tolunitrile
  • m-Tolunitrile, 99%

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
-22.8 °Cexp.
Boiling point
212.8 °Cexp.
Density
1.0316 at 68 °F - Denser than water, will sinkexp.
Flash point
86.7 °Cexp.
Solubility
Less than 1 mg/mL at 77 °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
117.15 g/molcalc.
Exact mass
117.0578 Dacalc.
LogP (octanol/water)
1.87calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.13calc.
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

  • 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

3-Tolunitrile suppliers

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

All 8 suppliers
8 of 8 offers

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

8 suppliers in 4 countries

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3-Tolunitrile 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

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

Frequently asked questions

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

What is 3-Tolunitrile?

M-tolunitrile is a clear, yellow liquid. (NTP, 1992)

What is the CAS number of 3-Tolunitrile?

The CAS registry number of 3-Tolunitrile is 620-22-4.

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

The molecular formula of 3-Tolunitrile is C8H7N and its molar mass is 117.15 g/mol.

What is 3-Tolunitrile used for?

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

Is 3-Tolunitrile hazardous?

3-Tolunitrile 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 3-Tolunitrile?

3-Tolunitrile 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 3-Tolunitrile?

CompoundList lists 8 suppliers of 3-Tolunitrile in China, Canada, India and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 3-Tolunitrile in India?

1 supplier in India list 3-Tolunitrile on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 3-Tolunitrile?

Suppliers quote 3-Tolunitrile 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-Tolunitrile

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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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