3-bromomethyl-3-methyloxetane - CAS 78385-26-9

Catalog:	BB036159
Product Name:	3-bromomethyl-3-methyloxetane
CAS:	78385-26-9
Synonyms:	3-(bromomethyl)-3-methyloxetane; 3-(bromomethyl)-3-methyloxetane

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Computed Properties

IUPAC Name:	3-(bromomethyl)-3-methyloxetane
Description:	3-bromomethyl-3-methyloxetane (CAS# 78385-26-9) is a monomer for the synthesis of Poly 3-bromomethyl-3-Me oxetane (PolyBrMMO), an energetic thermoplastic elastomer for propellant formulations.
Molecular Weight:	165.03
Molecular Formula:	C5H9BrO
Canonical SMILES:	CC1(COC1)CBr
InChI:	InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChI Key:	MGBZKWOJRYGRTO-UHFFFAOYSA-N
Boiling Point:	162 °C at 760 mmHg
Purity:	97.0 %
Density:	1.438 g/cm³
Appearance:	Liquid
MDL:	MFCD02684290
LogP:	1.41780

Publication Number	Title	Priority Date
CN-112851837-A	Safe and efficient preparation method of high-azide-content polymer	20210226
WO-2021163727-A1	Pikfyve kinase inhibitors	20200211
WO-2021105960-A1	Substituted tricyclic compounds	20191129
US-2021130365-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021070091-A1	5-oxa-2-azaspiro[3.4]octane derivatives as m4 agonists	20191009

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Related Functional Groups

Oxetane/Thietane

[1393441-68-3]
tert-Butyl ((3-(hydroxymethyl)oxetan-3-yl)methyl)carbamate
[1554288-33-3]
3-(2-aminoethyl)oxetan-3-ol
[1850206-88-0]
N-(1-fluoropropan-2-yl)thietan-3-amine
[1454913-88-2]
3-(4-Chloropyridin-3-yl)oxetan-3-ol
[1245816-27-6]
1-Boc-6-oxa-1-azaspiro[3.3]heptane
[1862879-36-4]
N-methoxy-N-methyl-1,1-dioxo-1λ⁶-thietane-3-sulfonamide

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GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	68.5
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:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3