2-(bromomethyl)oxolane

• ChemBase ID: 80665
• Molecular Formular: C5H9BrO
• Molecular Mass: 165.02836
• Monoisotopic Mass: 163.98367691
• SMILES: O1C(CBr)CCC1
• Canonical SMILES: BrCC1CCCO1
• InChI: InChI=1S/C5H9BrO/c6-4-5-2-1-3-7-5/h5H,1-4H2
• InChIKey: VOHILFSOWRNVJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)oxolane
• IUPAC Traditional name: 2-(bromomethyl)oxolane
• Synonyms: Tetrahydrofurfuryl bromide; 2-(Bromomethyl)tetrahydrofuran 90%; 2-BROMOMETHYLTETRAHYDROFURAN; 2-(Bromomethyl)tetrahydrofuran; Tetrahydrofurfuryl bromide; 2-(Bromomethyl)tetrahydrofuran; 2-(bromomethyl)oxolane; 四氢呋喃甲基溴

Database IDs

• CAS Number: 1192-30-9
• EC Number: 214-750-3
• MDL Number: MFCD00016894
• Beilstein Number: 102717
• PubChem SID: 162067785
• PubChem CID: 14501

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4400991
• LogD (pH = 7.4): 1.4400991
• Log P: 1.4400991
• Molar Refractivity: 32.5505 cm^3
• Polarizability: 12.746402 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Boiling Point: 169-171°C; 170-171°C
• Flash Point: 61°C(142°F); 63°C
• Density: 1.452
• Refractive Index: 1.4880
• Hydrophobicity(logP): 1.395

Safety Information

• Storage Warning: Irritant/Air Sensitive/Light Sensitive/Keep Cold/Store under Argon
• RTECS: LU6000000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 95+%

DETAILS

MP Biomedicals - 05201856

MP Biomedicals Rare Chemical collection