CompoundList
Sign in
Aromatics

Benzyne

Also known as o-Benzyne, 1,3-Cyclohexadien-5-yne, 1,2-Benzyne

CAS 462-80-6Formula C6H4Molar mass 76.10 g/mol
Get quotes Safety data
Benzyne chemical structure, C6H4, CAS 462-80-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
462-80-6
Formula
C6H4
Molar mass
76.10 g/mol
HS code
290290
Category
Aromatics

What is Benzyne?

Plain description, key identifiers and synonyms

1,2-didehydrobenzene is an aryne and a benzyne.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
cyclohexa-1,3-dien-5-yne
CAS number
462-80-6 CAS number cross-checked
Molecular formula
C6H4
InChIKey
KLYCPFXDDDMZNQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4/c1-2-4-6-5-3-1/h1-4H
SMILES (canonical and isomeric)
C1=CC#CC=C1

Synonyms

  • o-Benzyne
  • 1,3-Cyclohexadien-5-yne
  • 1,2-Benzyne
  • cyclohexa-1,3-dien-5-yne
  • 1,2-didehydrobenzene
  • 1,2-Dehydrobenzene
  • Dehydrobenzene
  • Benzene, dehydro-
  • Arine
  • Benzene, didehydro-
  • 1,2-dsmall ie, Cyrillichydrobenzene

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
76.10 g/molcalc.
Exact mass
76.0313 Dacalc.
LogP (octanol/water)
1.29calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
6calc.
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, c1ccccc#1

c1ccccc#1

1 ring, 6 atoms. This chemical is the scaffold itself.

18 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Benzyne suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Benzyne can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Benzyne price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

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 Benzyne is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Benzyne?

1,2-didehydrobenzene is an aryne and a benzyne.

What is the CAS number of Benzyne?

The CAS registry number of Benzyne is 462-80-6.

What is the molecular formula and weight of Benzyne?

The molecular formula of Benzyne is C6H4 and its molar mass is 76.10 g/mol.

Is Benzyne hazardous?

No GHS hazard classification for Benzyne is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Benzyne?

Benzyne is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Benzyne?

Post a free request on CompoundList and suppliers of Benzyne will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Benzyne?

Suppliers quote Benzyne 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 Benzyne

Get quotes for Benzyne

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Benzyne
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Benzyne with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/benzyne-462-80-6" title="Benzyne structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aromatics or HS code 290290

Price on request
Free quotes, contact stays private
Get quotes