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Olefins and dienes

Npc50861

Also known as Cyclooctatetraene, 1,3,5,7-Cyclooctatetraene, [8]Annulene

CAS 629-20-9Formula C8H8Molar mass 104.15 g/molEC 211-080-3
1 supplier listed
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Npc50861 chemical structure, C8H8, CAS 629-20-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
629-20-9
Formula
C8H8
Molar mass
104.15 g/mol
EC number
211-080-3
HS code
290219
Category
Olefins and dienes

What is Npc50861?

Plain description, key identifiers and synonyms

[8]annulene is an antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.

Npc50861 is a conjugated monocyclic hydrocarbon derivative of cyclooctane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
cyclooctatetraene
CAS number
629-20-9 CAS number cross-checked
EC number
211-080-3
Molecular formula
C8H8
UNII
AJ19R479CQ
MDL number
MFCD00004161
InChIKey
KDUIUFJBNGTBMD-DLMDZQPMSA-N
InChI
InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-
Canonical SMILES
C1=CC=CC=CC=C1
Isomeric SMILES
C\1=C\C=C/C=C\C=C1

Synonyms

  • Cyclooctatetraene
  • 1,3,5,7-Cyclooctatetraene
  • [8]Annulene
  • cycloocta-1,3,5,7-tetraene
  • (8)Annulene
  • (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene
  • COT
  • [8]-annulene
  • 1,3,5,7-Cyclooctatetraene, Cyclooctatetraene, NSC 5093, [8]Annulene
  • Cyclooctatetraene, 98%
  • 1,5,7-Cyclooctatetraene
  • Cyclooctatetraene [UN2358] [Flammable liquid]
  • UN 2358
  • 1,3,5,7-Cyclooctatetraene - Stabilised with 0.1% Hydroquinone

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
104.15 g/molcalc.
Exact mass
104.0626 Dacalc.
LogP (octanol/water)
2.22calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
8calc.
Rings
1calc.
Aromatic rings
0calc.
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, C1=CC=CC=CC=C1

C1=CC=CC=CC=C1

1 ring, 8 atoms, the (4-Methyl-6-trifluoromethyl-pyrimidin-2-yl-sulfanyl)-acetic acid ring system.

56 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.

Npc50861 suppliers

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

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  • Freshine Chem
    China ManufacturerUnclaimed profile
    Npc50861Grade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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Npc50861 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.

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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 Npc50861 is traded under.

HS 2902.19Indicative HS code

Cyclanes, cyclenes and cycloterpenes, other

World exports in 2024
$979M
+24.3% vs 2023, imports $1B
2019 to 2024
Top exporters
  1. China23.4%
  2. United States20.6%
  3. Germany13.6%
Top importers
  1. India * partner reported9.9%
  2. United States9.8%
  3. South Korea9.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Npc50861 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc50861, based on the data on this page

What is Npc50861?

[8]annulene is an antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.

What is the CAS number of Npc50861?

The CAS registry number of Npc50861 is 629-20-9.

What is the molecular formula and weight of Npc50861?

The molecular formula of Npc50861 is C8H8 and its molar mass is 104.15 g/mol.

Is Npc50861 hazardous?

No GHS hazard classification for Npc50861 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 Npc50861?

Npc50861 is usually classified under HS code 290219 (Cyclanes, cyclenes and cycloterpenes, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc50861?

CompoundList lists 1 supplier of Npc50861 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Npc50861?

Suppliers quote Npc50861 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 Npc50861

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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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