1,4-Benzodioxane - CAS 493-09-4

Catalog:	BB026693
Product Name:	1,4-Benzodioxane
CAS:	493-09-4
Synonyms:	2,3-dihydro-1,4-benzodioxin; 2,3-dihydro-1,4-benzodioxine

Technical Data

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Computed Properties

IUPAC Name:	2,3-dihydro-1,4-benzodioxine
Description:	1,4-Benzodioxane (CAS# 493-09-4) is a useful research chemical.
Molecular Weight:	136.15
Molecular Formula:	C8H8O2
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
Boiling Point:	248 °C
Density:	1.142 g/cm³
Appearance:	Colorless to light yellow clear liquid
MDL:	MFCD00006821
LogP:	1.45780

Publication Number	Title	Priority Date
CN-113416317-A	A method for separating C-type lignin and G/S-type lignin from seed coat of Euphorbiaceae plant	20210824
CN-113480479-A	Urea multi-target tyrosine kinase inhibitor and medical application thereof	20210812
CN-113121531-A	N-heteroindole compound, and synthesis method and medical application thereof	20210420
CN-113024514-A	Aminodithioformate compound, preparation method thereof, pharmaceutical composition and application thereof	20210326
CN-113024349-A	3, 3-difluoro-1, 5-hexadiene compound and preparation method and application thereof	20210318

PMID	Publication Date	Title	Journal
22985962	20121015	Design, modification and 3D QSAR studies of novel 2,3-dihydrobenzo[b][1,4]dioxin-containing 4,5-dihydro-1H-pyrazole derivatives as inhibitors of B-Raf kinase	Bioorganic & medicinal chemistry
22913812	20120921	Asymmetric synthesis and CD investigation of the 1,4-benzodioxane lignans eusiderins A, B, C, G, L, and M	The Journal of organic chemistry
22889353	20120813	Epigallocatechin gallate incorporation into lignin enhances the alkaline delignification and enzymatic saccharification of cell walls	Biotechnology for biofuels
22997711	20120501	[Synthesis of structural fragments of natural flavonoids and flavolignans from 2'-hydroxychalcones]	Bioorganicheskaia khimiia
22359379	20120401	Hydroxycinnamate conjugates as potential monolignol replacements: in vitro lignification and cell wall studies with rosmarinic acid	ChemSusChem

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GHS Hazard Statement:	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]
Precautionary Statement:	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
Signal Word:	Warning

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