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Product No: AA6867

1,4-Benzodioxane, 98%

Name: 1,4-Benzodioxane
Brand: Chempure

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CAS Number

493-09-4

Molecular Weight

136.15

Formula

C8H8O2

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About this item

IUPAC name	2,3-dihydro-1,4-benzodioxine
canonical smiles	C1COC2=CC=CC=C2O1
inchi	InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
inchi key	BNBQRQQYDMDJAH-UHFFFAOYSA-N
molecular formula	C8H8O2
synonyms	1,4-Benzodioxane 493-09-4 1,4-BENZODIOXAN 2,3-dihydrobenzo[b][1,4]dioxine 2,3-Dihydro-1,4-benzodioxine

Computed Properties

Molecular Weight:	136.15 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	136.052429494 g/mol
Monoisotopic Mass:	136.052429494 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	99.8
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Naphthalene

Oxyquinoline

Phthalic anhydride

Quinoline

Benzothiazole

Benzofuran

Phenoxyethanol

3,4-Methylenedioxyphenol

1H-Benzotriazole

Dicyclopentadiene

Menthofuran

Tetrahydrophthalic anhydride

Chloroxine

6-Methylquinoline

Decahydronaphthalene

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (50%) Eye Irrit. 2 (50%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AA6867

1,4-Benzodioxane, 98%

Product No: AA6867

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: AA6867

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?