3,3-bis(bromomethyl)pentane

• ChemBase ID: 109416
• Molecular Formular: C7H14Br2
• Molecular Mass: 257.99406
• Monoisotopic Mass: 255.94622445
• SMILES: CCC(CC)(CBr)CBr
• Canonical SMILES: CCC(CBr)(CBr)CC
• InChI: InChI=1S/C7H14Br2/c1-3-7(4-2,5-8)6-9/h3-6H2,1-2H3
• InChIKey: ZIQNZEFIQWBNHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-bis(bromomethyl)pentane
• IUPAC Traditional name: 3,3-bis(bromomethyl)pentane
• Synonyms: 2,2-DIETHYL-1,3-DIBROMOPROPANE; 1,3-DIBROMO-2,2-DIETHYLPROPANE; 3,3-Bis(bromomethyl)pentane; 1,3-Dibromo-2,2-diethylpropane; 3,3-Bis(bromomethyl)pentane; 1,3-二溴-2,2-二乙丙烷

Database IDs

• CAS Number: 67969-84-0
• EC Number: 267-985-9
• MDL Number: MFCD00039190
• Beilstein Number: 1697848
• PubChem SID: 162095055
• PubChem CID: 106258

CALCULATED PROPERTIES

• Molar Refractivity: 49.4493 cm^3
• Polarizability: 19.227707 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7922673
• LogD (pH = 7.4): 3.7922673
• Log P: 3.7922673

PROPERTIES

Physical Property

• Melting Point: 38-41°C
• Boiling Point: 96-97°C/10mm

Safety Information

• 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
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%; tech. 90%

DETAILS

MP Biomedicals - 05220742

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05210947

MP Biomedicals Rare Chemical collection