4-Bromotetrahydropyran - CAS 25637-16-5

Catalog:	BB018981
Product Name:	4-Bromotetrahydropyran
CAS:	25637-16-5
Synonyms:	4-bromooxane

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Computed Properties

IUPAC Name:	4-bromooxane
Description:	4-Bromotetrahydropyran (CAS# 25637-16-5) is a useful reactant in organic synthesis.
Molecular Weight:	165.03
Molecular Formula:	C5H9BrO
Canonical SMILES:	C1COCCC1Br
InChI:	InChI=1S/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChI Key:	IVBVKTPDEWDNRW-UHFFFAOYSA-N
Boiling Point:	177.986 ℃ at 760 mmHg
Density:	1.475 g/cm³
MDL:	MFCD07371501
LogP:	1.56030

Publication Number	Title	Priority Date
CN-112645971-A	Method for directly preparing alkyl borate compound from alkyl halide	20210120
CN-111592874-A	Composition, electrochromic device, housing assembly, and electronic apparatus	20200618
CN-111607385-A	Composition, electrochromic device and preparation method thereof, shell assembly and electronic equipment	20200618
CN-111607386-A	Electrochromic material, composition, preparation method, electrochromic device, shell assembly and electronic equipment	20200618
CN-111676009-A	Composition, electrochromic device and preparation method thereof, shell assembly and electronic equipment	20200618

PMID	Publication Date	Title	Journal
12917007	20030821	Titanium(IV)-promoted Mukaiyama aldol-Prins cyclizations	Organic letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	50
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.98368
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.98368
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4