6-Bromo-1,4-benzodioxane - CAS 52287-51-1

Catalog:	BB027769
Product Name:	6-Bromo-1,4-benzodioxane
CAS:	52287-51-1
Synonyms:	6-bromo-2,3-dihydro-1,4-benzodioxin; 6-bromo-2,3-dihydro-1,4-benzodioxine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-2,3-dihydro-1,4-benzodioxine
Description:	6-Bromo-1,4-benzodioxane (CAS# 52287-51-1) is a useful research chemical.
Molecular Weight:	215.04
Molecular Formula:	C8H7BrO2
Canonical SMILES:	C1COC2=C(O1)C=CC(=C2)Br
InChI:	InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChI Key:	LFCURAJBHDNUNG-UHFFFAOYSA-N
Boiling Point:	62-260 °C
Density:	1.598 g/mL at 25 °C(lit.)
MDL:	MFCD00040750
LogP:	2.22030

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.96294
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.96294
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2