Cyclooctatetraene, 98% COT

Name: Cyclooctatetraene
Brand: Chempure

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CAS Number

629-20-9

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IUPAC name	cyclooctatetraene
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-
inchi key	KDUIUFJBNGTBMD-DLMDZQPMSA-N
molecular formula	C8H8
synonyms	Cyclooctatetraene 1,3,5,7-CYCLOOCTATETRAENE 629-20-9 [8]Annulene (8)Annulene
Compound Description	Cyclooctatetraene appears as a colorless liquid. May irritate skin and eyes. Less dense than water and insoluble in water. Vapors heavier than air. Used to make rubber. [8]annulene is an antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.

Computed Properties

Molecular Weight:	104.15 g/mol
XLogP3:	3.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	0
Exact Mass:	104.062600255 Da
Monoisotopic Mass:	104.062600255 Da
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	86.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	4
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Asp. Tox. 1 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (97.6%) Flammable - 3rd degree
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Highly flammable. May cause skin and eye irritation. Inhalation of vapor may cause dizziness or suffocation. May polymerize explosively if heated or involved in a fire. A skin and strong eye irritant. Harmful by ingestion (may cause lung damage by aspiration). Cyclooctatetraene (UN2358) has warning of explosive polymerization. See 1,5,9-Cyclododecatriene.

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About this item

IUPAC name	cyclooctatetraene
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-
inchi key	KDUIUFJBNGTBMD-DLMDZQPMSA-N
molecular formula	C8H8
synonyms	Cyclooctatetraene 1,3,5,7-CYCLOOCTATETRAENE 629-20-9 [8]Annulene (8)Annulene
Compound Description	Cyclooctatetraene appears as a colorless liquid. May irritate skin and eyes. Less dense than water and insoluble in water. Vapors heavier than air. Used to make rubber. [8]annulene is an antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.

Computed Properties

Molecular Weight:	104.15 g/mol
XLogP3:	3.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	0
Exact Mass:	104.062600255 Da
Monoisotopic Mass:	104.062600255 Da
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	86.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	4
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Asp. Tox. 1 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (97.6%) Flammable - 3rd degree
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Highly flammable. May cause skin and eye irritation. Inhalation of vapor may cause dizziness or suffocation. May polymerize explosively if heated or involved in a fire. A skin and strong eye irritant. Harmful by ingestion (may cause lung damage by aspiration). Cyclooctatetraene (UN2358) has warning of explosive polymerization. See 1,5,9-Cyclododecatriene.

Product No: AL4475

Cyclooctatetraene, 98% COT

Product No: AL4475

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

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Product No: AL4475

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?