3-Bromooxetane - CAS 39267-79-3

Catalog:	BB023924
Product Name:	3-Bromooxetane
CAS:	39267-79-3
Synonyms:	3-bromooxetane

Technical Data

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Computed Properties

IUPAC Name:	3-bromooxetane
Description:	3-Bromooxetane (CAS# 39267-79-3) is a useful research chemical.
Molecular Weight:	136.98
Molecular Formula:	C3H5BrO
Canonical SMILES:	C1C(CO1)Br
InChI:	InChI=1S/C3H5BrO/c4-3-1-5-2-3/h3H,1-2H2
InChI Key:	SZTIZZFKWQWSSP-UHFFFAOYSA-N
Boiling Point:	130.5 °C at 760 mmHg
Purity:	> 95 %
Density:	1.793 g/cm³
MDL:	MFCD08544402
LogP:	0.78010

Publication Number	Title	Priority Date
CN-111944134-A	Preparation method of high molecular weight unsaturated polyester and product thereof	20200824
CN-111944134-B	Preparation method of high molecular weight unsaturated polyester and product thereof	20200824
WO-2021179091-A1	3-(2-(aminoethyl)-indol-4-ol derivatives, methods of preparation thereof, and the use as 5-ht2 receptor modulators	20200312
WO-2021164746-A1	Substituted aryl compound	20200219
WO-2021165195-A1	Heteroaryl-triazole compounds as pesticides	20200218

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P330, P337+P313, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	33.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.95238
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.95238
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7