[3-(bromomethyl)oxetan-3-yl]methyl methanesulfonate|[3-(Bromomethyl)-3-oxetanyl]methyl methanesulfonate|[3-(bromomethyl)oxetan-3-yl]methyl methanesulfonate

Molecular Formula

C₆H₁₁BrO₄S

Molecular Mass

259.11814

Exact Mass

257.95614183

InChI

InChI=1S/C6H11BrO4S/c1-12(8,9)11-5-6(2-7)3-10-4-6/h2-5H2,1H3

InChIKey

TYQIOEVNTKGBKZ-UHFFFAOYSA-N

Canonic Smiles

BrCC1(COS(=O)(=O)C)COC1

Isomeric Smiles

CS(=O)(=O)OCC1(COC1)CBr

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.1006316

LogD (pH = 7.4)

-0.1006316

Log P

-0.1006316

Molar Refractivity

47.0046

Polarizability

19.707966

Polar Surface Area

52.6

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC Traditional name

[3-(bromomethyl)oxetan-3-yl]methyl methanesulfonate

Synonyms

[3-(Bromomethyl)-3-oxetanyl]methyl methanesulfonate

IUPAC name

[3-(bromomethyl)oxetan-3-yl]methyl methanesulfonate

MDL Number

MFCD14586418

PubChem CID

11043465

PubChem SID

162230644

Safety Information

Safety Statements

26-36/37

GHS Hazard statements

H317-H319

MSDS Link

Download link

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

GHS Precautionary statements

P280-P305+P351+P338

Risk Statements

36-43

German water hazard class

Product Information

Empirical Formula (Hill Notation)

C6H11BrO4S

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Sigma Aldrich

L500216

Other Notes
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